[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S/c1-3-12-22-19(23)14(2)25-20(24)16-9-5-7-11-18(16)26-17-10-6-4-8-15(17)13-21/h3-11,14H,1,12H2,2H3,(H,22,23)