[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C18H21N3O3S/c1-15-4-6-16(7-5-15)25-13-8-18(23)24-14-17(22)21(11-2-9-19)12-3-10-20/h4-7H,2-3,8,11-14H2,1H3