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

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C19H17FN2O3S2 MolecularWeight: 404.478283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C19H17FN2O3S2/c20-13-7-9-14(10-8-13)21-17(23)12-25-18(24)6-3-11-26-19-22-15-4-1-2-5-16(15)27-19/h1-2,4-5,7-10H,3,6,11-12H2,(H,21,23)