[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)N(CCC#N)CCC#N)SCC2=CSC=N2

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)N(CCC#N)CCC#N)SCC2=CSC=N2

InChI

InChI=1S/C19H18N4O3S2/c20-7-1-9-23(10-2-8-21)18(24)11-26-19(25)15-3-5-17(6-4-15)28-13-16-12-27-14-22-16/h3-6,12,14H,1-2,9-11,13H2