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

Systemtic Name: 8-chloranyl-4-(4-fluoranyl-2-methyl-phenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Openeye Name: 8-chloro-4-(4-fluoro-2-methyl-phenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid CAS Name: 8-chloro-4-(4-fluoro-2-methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid IUPAC Name: 8-chloro-4-(4-fluoro-2-methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Traditional Name: 8-chloro-4-(4-fluoro-2-methyl-phenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Formula: C17H13ClFNO2S MolecularWeight: 349.807023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClFNO2S/c1-9-6-11(19)3-4-12(9)14-8-16(17(21)22)23-15-7-10(18)2-5-13(15)20-14/h2-7,16H,8H2,1H3,(H,21,22)