[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SCC(=O)OCC(=O)N(CCC#N)CCC#N)C(=CC=C2)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)SCC(=O)OCC(=O)N(CCC#N)CCC#N)C(=CC=C2)Cl

InChI

InChI=1S/C20H18ClN3O3S/c21-16-7-1-5-15-6-2-8-17(20(15)16)28-14-19(26)27-13-18(25)24(11-3-9-22)12-4-10-23/h1-2,5-8H,3-4,11-14H2