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

Systemtic Name: 4-[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]sulfanylbenzoate Openeye Name: 4-[(1S)-2-anilino-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 4-[[(2S)-1-anilino-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 4-[(2S)-1-anilino-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 4-[[(1S)-2-anilino-2-keto-1-methyl-ethyl]thio]benzoate Formula: C16H14NO3S- MolecularWeight: 300.35226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)SC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H15NO3S/c1-11(15(18)17-13-5-3-2-4-6-13)21-14-9-7-12(8-10-14)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)/p-1/t11-/m0/s1