[2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H18N2O4S/c23-17(12-14-6-2-1-3-7-14)22-18(24)13-26-20(25)11-10-19-21-15-8-4-5-9-16(15)27-19/h1-9H,10-13H2,(H,22,23,24)