[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O3S/c20-10-5-11-22-18(23)13-25-19(24)15-7-2-4-9-17(15)26-16-8-3-1-6-14(16)12-21/h1-4,6-9H,5,11,13H2,(H,22,23)