E18

2-(DIMETHYLAMINO)ETHYL (1Z)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE

Created:	2009-11-09
Last modified:	2011-06-04

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1 entries where E18 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	6

2D diagram of E18

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Chemical Component Summary
Name	2-(DIMETHYLAMINO)ETHYL (1Z)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE
Systematic Name (OpenEye OEToolkits)	[[1-(2-dimethylaminoethylsulfanyl)-2-phenyl-ethylidene]amino] hydrogen sulfate
Formula	C₁₂ H₁₈ N₂ O₄ S₂
Molecular Weight	318.412
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(O)O\N=C(/SCCN(C)C)Cc1ccccc1
SMILES	CACTVS	3.352	CN(C)CCSC(Cc1ccccc1)=NO[S](O)(=O)=O
SMILES	OpenEye OEToolkits	1.6.1	CN(C)CCSC(=NOS(=O)(=O)O)Cc1ccccc1
Canonical SMILES	CACTVS	3.352	CN(C)CCS\C(Cc1ccccc1)=N/O[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.6.1	CN(C)CCS/C(=N\OS(=O)(=O)O)/Cc1ccccc1
InChI	InChI	1.03	InChI=1S/C12H18N2O4S2/c1-14(2)8-9-19-12(13-18-20(15,16)17)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,16,17)/b13-12-
InChIKey	InChI	1.03	AJWBDCAFLSUABV-SEYXRHQNSA-N

Related Resource References

Resource Name	Reference
PubChem	44157894, 72199470

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