ethyl 4,5-dimethyl-2-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H22N3O3S2+ MolecularWeight: 404.52628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)C

InChI

InChI=1S/C19H21N3O3S2/c1-5-25-18(24)16-11(2)12(3)27-17(16)21-15(23)10-26-19-20-13-8-6-7-9-14(13)22(19)4/h6-9H,5,10H2,1-4H3,(H,21,23,24)/p+1