4-[[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[2-(4-methoxyanilino)-2-oxoethyl]thio]methyl]benzoic acid IUPAC Name: 4-[[2-(4-methoxyanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[2-keto-2-(p-anisidino)ethyl]thio]methyl]benzoic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H17NO4S/c1-22-15-8-6-14(7-9-15)18-16(19)11-23-10-12-2-4-13(5-3-12)17(20)21/h2-9H,10-11H2,1H3,(H,18,19)(H,20,21)