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

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 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 [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 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 [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C20H18FNO4S MolecularWeight: 387.424623

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F)NC1=O

InChI

InChI=1S/C20H18FNO4S/c21-15-6-3-13(4-7-15)17(23)2-1-10-26-20(25)14-5-8-18-16(12-14)22-19(24)9-11-27-18/h3-8,12H,1-2,9-11H2,(H,22,24)