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

Systemtic Name: [2-(3-fluorophenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-(3-fluorophenyl)-2-oxo-ethyl] 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-(3-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluorophenyl)-2-oxoethyl] 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-(3-fluorophenyl)-2-keto-ethyl] ester Formula: C18H14FNO4S MolecularWeight: 359.371463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14FNO4S/c19-13-3-1-2-11(8-13)15(21)10-24-18(23)12-4-5-16-14(9-12)20-17(22)6-7-25-16/h1-5,8-9H,6-7,10H2,(H,20,22)