[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethylsulfanylbenzoate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethylsulfanylbenzoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H18N2O3S/c1-3-25-17-7-5-4-6-16(17)19(23)24-13(2)18(22)21-15-10-8-14(12-20)9-11-15/h4-11,13H,3H2,1-2H3,(H,21,22)/t13-/m1/s1