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

Systemtic Name: 2-[(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(1S)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[(1S)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO4S/c1-11(20)13-6-5-7-14(10-13)19-17(21)12(2)24-16-9-4-3-8-15(16)18(22)23/h3-10,12H,1-2H3,(H,19,21)(H,22,23)/t12-/m0/s1