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

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

Systemtic Name:8-fluoranyl-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
Openeye Name:8-fluoro-4-(p-tolyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
CAS Name:8-fluoro-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
IUPAC Name:8-fluoro-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
Traditional Name:8-fluoro-4-(p-tolyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
Formula: C17H14FNO2S
MolecularWeight: 315.361963
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H14FNO2S/c1-10-2-4-11(5-3-10)14-9-16(17(20)21)22-15-8-12(18)6-7-13(15)19-14/h2-8,16H,9H2,1H3,(H,20,21)


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