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

Systemtic Name: 4-methyl-2-(4-methylphenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid Openeye Name: 4-methyl-2-(p-tolyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid CAS Name: 4-methyl-2-(4-methylphenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid IUPAC Name: 4-methyl-2-(4-methylphenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid Traditional Name: 4-methyl-2-(p-tolyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC3=CC=CC=C3S2)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(NC3=CC=CC=C3S2)C)C(=O)O

InChI

InChI=1S/C18H17NO2S/c1-11-7-9-13(10-8-11)17-16(18(20)21)12(2)19-14-5-3-4-6-15(14)22-17/h3-10,17,19H,1-2H3,(H,20,21)