3-[[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylmethyl]benzoate Openeye Name: 3-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]thio]methyl]benzoate IUPAC Name: 3-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl]thio]methyl]benzoate Formula: C19H18NO3S- MolecularWeight: 340.41612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1CC1NC(=O)[C@H](C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C19H19NO3S/c21-18(20-16-9-10-16)17(14-6-2-1-3-7-14)24-12-13-5-4-8-15(11-13)19(22)23/h1-8,11,16-17H,9-10,12H2,(H,20,21)(H,22,23)/p-1/t17-/m0/s1