[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C22H18N4O3S/c23-11-5-13-26(14-6-12-24)21(27)16-29-22(28)18-8-2-4-10-20(18)30-19-9-3-1-7-17(19)15-25/h1-4,7-10H,5-6,13-14,16H2