2-[(2S)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(2S)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-[2-(methylthio)anilino]-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl]thio]benzoic acid Formula: C17H17NO3S2 MolecularWeight: 347.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1SC)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H17NO3S2/c1-11(23-14-9-5-3-7-12(14)17(20)21)16(19)18-13-8-4-6-10-15(13)22-2/h3-11H,1-2H3,(H,18,19)(H,20,21)/t11-/m0/s1