[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C17H19N3O3S/c1-14-6-2-3-7-15(14)24-13-17(22)23-12-16(21)20(10-4-8-18)11-5-9-19/h2-3,6-7H,4-5,10-13H2,1H3