(3-fluoranyl-4-methoxy-phenyl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)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 (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)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 (3-fluoro-4-methoxy-benzyl) ester Formula: C18H16FNO4S MolecularWeight: 361.387343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)F

InChI

InChI=1S/C18H16FNO4S/c1-23-15-4-2-11(8-13(15)19)10-24-18(22)12-3-5-16-14(9-12)20-17(21)6-7-25-16/h2-5,8-9H,6-7,10H2,1H3,(H,20,21)