2-[(2S)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: 2-[(2S)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 2-[(1S)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 2-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl]thio]benzoate Formula: C18H16NO4S- MolecularWeight: 342.38894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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