[2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(=O)COC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=O)COC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H20N2O4S2/c24-18(13-15-7-2-1-3-8-15)23-19(25)14-27-20(26)11-6-12-28-21-22-16-9-4-5-10-17(16)29-21/h1-5,7-10H,6,11-14H2,(H,23,24,25)