2-[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: 2-[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 2-[(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 2-[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl]thio]benzoate Formula: C17H13N2O3S- MolecularWeight: 325.36172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O3S/c1-11(23-15-8-3-2-7-14(15)17(21)22)16(20)19-13-6-4-5-12(9-13)10-18/h2-9,11H,1H3,(H,19,20)(H,21,22)/p-1/t11-/m0/s1