ethyl 8-methoxy-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-4,1-benzothiazepine-5-carboxylate

Systemtic Name: ethyl 8-methoxy-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-4,1-benzothiazepine-5-carboxylate Openeye Name: ethyl 8-methoxy-1-(p-tolylsulfonyl)-3,5-dihydro-2H-4,1-benzothiazepine-5-carboxylate CAS Name: 8-methoxy-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-4,1-benzothiazepine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 8-methoxy-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-4,1-benzothiazepine-5-carboxylate Traditional Name: 8-methoxy-1-tosyl-3,5-dihydro-2H-4,1-benzothiazepine-5-carboxylic acid ethyl ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2=C(C=C(C=C2)OC)N(CCS1)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1C2=C(C=C(C=C2)OC)N(CCS1)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H23NO5S2/c1-4-26-20(22)19-17-10-7-15(25-3)13-18(17)21(11-12-27-19)28(23,24)16-8-5-14(2)6-9-16/h5-10,13,19H,4,11-12H2,1-3H3