[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(4,5-dihydrothiazol-2-ylthio)methyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(2-thiazolin-2-ylthio)methyl]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H17N3O3S2 MolecularWeight: 363.45448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1CSC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C16H17N3O3S2/c17-6-3-7-18-14(20)10-22-15(21)13-5-2-1-4-12(13)11-24-16-19-8-9-23-16/h1-2,4-5H,3,7-11H2,(H,18,20)