5-[(4-fluorophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylic acid

Systemtic Name: 5-[(4-fluorophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylic acid Openeye Name: 5-[(4-fluorophenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylic acid CAS Name: 5-[(4-fluorophenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid IUPAC Name: 5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylic acid Traditional Name: 5-(4-fluorobenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylic acid Formula: C21H14FNO3S MolecularWeight: 379.404163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C3=C(S2)C=CC(=C3)C(=O)O)CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C3=C(S2)C=CC(=C3)C(=O)O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H14FNO3S/c22-15-8-5-13(6-9-15)12-23-17-11-14(21(25)26)7-10-19(17)27-18-4-2-1-3-16(18)20(23)24/h1-11H,12H2,(H,25,26)