2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[[2-keto-2-(p-phenetidino)ethyl]thio]-3H-benzimidazole-5-carboxylic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C18H17N3O4S/c1-2-25-13-6-4-12(5-7-13)19-16(22)10-26-18-20-14-8-3-11(17(23)24)9-15(14)21-18/h3-9H,2,10H2,1H3,(H,19,22)(H,20,21)(H,23,24)