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

Systemtic Name: [2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [2-oxo-2-(2-phenylanilino)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-oxo-2-(2-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylanilino)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [2-keto-2-(2-phenylanilino)ethyl] ester Formula: C25H22N2O3S2 MolecularWeight: 462.58378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)COC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)COC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H22N2O3S2/c28-23(26-20-12-5-4-11-19(20)18-9-2-1-3-10-18)17-30-24(29)15-8-16-31-25-27-21-13-6-7-14-22(21)32-25/h1-7,9-14H,8,15-17H2,(H,26,28)