8-ethoxy-4-(4-fluoranyl-2-methyl-phenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid

Systemtic Name: 8-ethoxy-4-(4-fluoranyl-2-methyl-phenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Openeye Name: 8-ethoxy-4-(4-fluoro-2-methyl-phenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid CAS Name: 8-ethoxy-4-(4-fluoro-2-methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid IUPAC Name: 8-ethoxy-4-(4-fluoro-2-methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Traditional Name: 8-ethoxy-4-(4-fluoro-2-methyl-phenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Formula: C19H18FNO3S MolecularWeight: 359.414523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(CC(S2)C(=O)O)C3=C(C=C(C=C3)F)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(CC(S2)C(=O)O)C3=C(C=C(C=C3)F)C

InChI

InChI=1S/C19H18FNO3S/c1-3-24-13-5-7-15-17(9-13)25-18(19(22)23)10-16(21-15)14-6-4-12(20)8-11(14)2/h4-9,18H,3,10H2,1-2H3,(H,22,23)