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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C16H19N3O4S/c1-19(2)15(21)11-24-13-7-4-3-6-12(13)16(22)23-10-14(20)18-9-5-8-17/h3-4,6-7H,5,9-11H2,1-2H3,(H,18,20)