4-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(N-methylanilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(N-methylanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(N-methylanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-(N-methylanilino)ethyl]thio]benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H15NO3S/c1-17(13-5-3-2-4-6-13)15(18)11-21-14-9-7-12(8-10-14)16(19)20/h2-10H,11H2,1H3,(H,19,20)