L8T

2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid

Created:	2023-05-05
Last modified:	2023-06-14

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2 entries where L8T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	5

2D diagram of L8T

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Chemical Component Summary
Name	2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid
Formula	C₁₈ H₂₁ N O₅ S
Molecular Weight	363.428
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C=1CCCC=1C(=O)Nc1sc2CCCCc2c1C(=O)OCC
SMILES	CACTVS	3.385	CCOC(=O)c1c2CCCCc2sc1NC(=O)C3=C(CCC3)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)c1c2c(sc1NC(=O)C3=C(CCC3)C(=O)O)CCCC2
Canonical SMILES	CACTVS	3.385	CCOC(=O)c1c2CCCCc2sc1NC(=O)C3=C(CCC3)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)c1c2c(sc1NC(=O)C3=C(CCC3)C(=O)O)CCCC2
InChI	InChI	1.06	InChI=1S/C18H21NO5S/c1-2-24-18(23)14-12-6-3-4-9-13(12)25-16(14)19-15(20)10-7-5-8-11(10)17(21)22/h2-9H2,1H3,(H,19,20)(H,21,22)
InChIKey	InChI	1.06	KMYGWMFALCXVML-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168300841

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