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

Systemtic Name: 2-[(2S)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-1-methyl-2-(N-methylanilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(N-methylanilino)ethyl]thio]benzoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@@H](C(=O)N(C)C1=CC=CC=C1)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H17NO3S/c1-12(16(19)18(2)13-8-4-3-5-9-13)22-15-11-7-6-10-14(15)17(20)21/h3-12H,1-2H3,(H,20,21)/t12-/m0/s1