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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC=N3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC=N3

InChI

InChI=1S/C20H18N2O3S2/c23-19(21-10-15-6-2-1-3-7-15)11-25-20(24)17-8-4-5-9-18(17)27-13-16-12-26-14-22-16/h1-9,12,14H,10-11,13H2,(H,21,23)