[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C16H17N3O3S/c1-23-14-7-3-2-6-13(14)16(21)22-12-15(20)19(10-4-8-17)11-5-9-18/h2-3,6-7H,4-5,10-12H2,1H3