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

Systemtic Name: 4-(4-fluoranyl-2-methyl-phenyl)-8-methyl-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Openeye Name: 4-(4-fluoro-2-methyl-phenyl)-8-methyl-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid CAS Name: 4-(4-fluoro-2-methylphenyl)-8-methyl-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid IUPAC Name: 4-(4-fluoro-2-methylphenyl)-8-methyl-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Traditional Name: 4-(4-fluoro-2-methyl-phenyl)-8-methyl-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Formula: C18H16FNO2S MolecularWeight: 329.388543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(CC(S2)C(=O)O)C3=C(C=C(C=C3)F)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(CC(S2)C(=O)O)C3=C(C=C(C=C3)F)C

InChI

InChI=1S/C18H16FNO2S/c1-10-3-6-14-16(7-10)23-17(18(21)22)9-15(20-14)13-5-4-12(19)8-11(13)2/h3-8,17H,9H2,1-2H3,(H,21,22)