[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)SCC(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)SCC(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C20H19N3O3S/c21-9-3-11-23(12-4-10-22)19(24)14-26-20(25)15-27-18-8-7-16-5-1-2-6-17(16)13-18/h1-2,5-8,13H,3-4,11-12,14-15H2