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

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N

InChI

InChI=1S/C19H18N2O3S/c1-3-21-18(22)13(2)24-19(23)15-9-5-7-11-17(15)25-16-10-6-4-8-14(16)12-20/h4-11,13H,3H2,1-2H3,(H,21,22)/t13-/m0/s1