dimethyl (5R)-4-(4-methylphenyl)sulfonyl-5-propan-2-yl-5H-1,4-benzothiazepine-2,3-dicarboxylate

Systemtic Name: dimethyl (5R)-4-(4-methylphenyl)sulfonyl-5-propan-2-yl-5H-1,4-benzothiazepine-2,3-dicarboxylate Openeye Name: dimethyl (5R)-5-isopropyl-4-(p-tolylsulfonyl)-5H-1,4-benzothiazepine-2,3-dicarboxylate CAS Name: (5R)-4-(4-methylphenyl)sulfonyl-5-propan-2-yl-5H-1,4-benzothiazepine-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (5R)-4-(4-methylphenyl)sulfonyl-5-propan-2-yl-5H-1,4-benzothiazepine-2,3-dicarboxylate Traditional Name: (5R)-5-isopropyl-4-tosyl-5H-1,4-benzothiazepine-2,3-dicarboxylic acid dimethyl ester Formula: C23H25NO6S2 MolecularWeight: 475.5777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C3=CC=CC=C3SC(=C2C(=O)OC)C(=O)OC)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](C3=CC=CC=C3SC(=C2C(=O)OC)C(=O)OC)C(C)C

InChI

InChI=1S/C23H25NO6S2/c1-14(2)19-17-8-6-7-9-18(17)31-21(23(26)30-5)20(22(25)29-4)24(19)32(27,28)16-12-10-15(3)11-13-16/h6-14,19H,1-5H3/t19-/m1/s1