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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(2-chlorophenyl)thio]propanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(2-chlorophenyl)thio]propionic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O3S/c18-14-5-1-2-6-15(14)25-12-7-17(23)24-13-16(22)21(10-3-8-19)11-4-9-20/h1-2,5-6H,3-4,7,10-13H2