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

Systemtic Name: 4-(4-fluoranyl-2-methyl-phenyl)-8-methoxy-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Openeye Name: 4-(4-fluoro-2-methyl-phenyl)-8-methoxy-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid CAS Name: 4-(4-fluoro-2-methylphenyl)-8-methoxy-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid IUPAC Name: 4-(4-fluoro-2-methylphenyl)-8-methoxy-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Traditional Name: 4-(4-fluoro-2-methyl-phenyl)-8-methoxy-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Formula: C18H16FNO3S MolecularWeight: 345.387943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2=NC3=C(C=C(C=C3)OC)SC(C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=NC3=C(C=C(C=C3)OC)SC(C2)C(=O)O

InChI

InChI=1S/C18H16FNO3S/c1-10-7-11(19)3-5-13(10)15-9-17(18(21)22)24-16-8-12(23-2)4-6-14(16)20-15/h3-8,17H,9H2,1-2H3,(H,21,22)