[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-[ethyl(2-methylallyl)amino]-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[ethyl(2-methylallyl)amino]-2-keto-ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)COC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N

Isomeric SMILES

CCN(CC(=C)C)C(=O)COC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N

InChI

InChI=1S/C22H22N2O3S/c1-4-24(14-16(2)3)21(25)15-27-22(26)18-10-6-8-12-20(18)28-19-11-7-5-9-17(19)13-23/h5-12H,2,4,14-15H2,1,3H3