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

Systemtic Name: 4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Openeye Name: 4-(p-tolyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid CAS Name: 4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid IUPAC Name: 4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Traditional Name: 4-(p-tolyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C(=O)O

InChI

InChI=1S/C17H15NO2S/c1-11-6-8-12(9-7-11)14-10-16(17(19)20)21-15-5-3-2-4-13(15)18-14/h2-9,16H,10H2,1H3,(H,19,20)