2-[(2S)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[(2S)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-keto-2-(m-anisidino)-1-methyl-ethyl]thio]benzoic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)OC)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)OC)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H17NO4S/c1-11(23-15-9-4-3-8-14(15)17(20)21)16(19)18-12-6-5-7-13(10-12)22-2/h3-11H,1-2H3,(H,18,19)(H,20,21)/t11-/m0/s1