[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-(4-fluorophenyl)thiazol-4-yl]methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-(4-fluorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-(4-fluorophenyl)thiazol-4-yl]methyl ester Formula: C20H15FN2O3S2 MolecularWeight: 414.473103

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)C4=CC=C(C=C4)F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)C4=CC=C(C=C4)F)NC1=O

InChI

InChI=1S/C20H15FN2O3S2/c21-14-4-1-12(2-5-14)19-22-15(11-28-19)10-26-20(25)13-3-6-17-16(9-13)23-18(24)7-8-27-17/h1-6,9,11H,7-8,10H2,(H,23,24)