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

Systemtic Name: 2-(2-fluorophenyl)sulfanylethyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: 2-(2-fluorophenyl)sulfanylethyl 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-[(2-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(2-fluorophenyl)sulfanylethyl 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-[(2-fluorophenyl)thio]ethyl ester Formula: C18H16FNO3S2 MolecularWeight: 377.452943

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCCSC3=CC=CC=C3F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCCSC3=CC=CC=C3F)NC1=O

InChI

InChI=1S/C18H16FNO3S2/c19-13-3-1-2-4-15(13)25-10-8-23-18(22)12-5-6-16-14(11-12)20-17(21)7-9-24-16/h1-6,11H,7-10H2,(H,20,21)