[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NCCC#N)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NCCC#N)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H17N3O3S/c21-10-3-11-23-19(24)13-26-20(25)17-4-1-2-5-18(17)27-14-16-8-6-15(12-22)7-9-16/h1-2,4-9H,3,11,13-14H2,(H,23,24)