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

Systemtic Name: 2-(4-methoxyphenyl)-4-methyl-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid Openeye Name: 2-(4-methoxyphenyl)-4-methyl-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid CAS Name: 2-(4-methoxyphenyl)-4-methyl-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid IUPAC Name: 2-(4-methoxyphenyl)-4-methyl-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid Traditional Name: 2-(4-methoxyphenyl)-4-methyl-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(SC2=CC=CC=C2N1)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=C(C(SC2=CC=CC=C2N1)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C18H17NO3S/c1-11-16(18(20)21)17(12-7-9-13(22-2)10-8-12)23-15-6-4-3-5-14(15)19-11/h3-10,17,19H,1-2H3,(H,20,21)