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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-(thiazol-4-ylmethoxy)benzoate CAS Name: 4-(4-thiazolylmethoxy)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 4-(thiazol-4-ylmethoxy)benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)N(CCC#N)CCC#N)OCC2=CSC=N2

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)N(CCC#N)CCC#N)OCC2=CSC=N2

InChI

InChI=1S/C19H18N4O4S/c20-7-1-9-23(10-2-8-21)18(24)12-27-19(25)15-3-5-17(6-4-15)26-11-16-13-28-14-22-16/h3-6,13-14H,1-2,9-12H2