ethyl 6-methoxy-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-4,1-benzothiazepine-5-carboxylate

Systemtic Name: ethyl 6-methoxy-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-4,1-benzothiazepine-5-carboxylate Openeye Name: ethyl 6-methoxy-1-(p-tolylsulfonyl)-3,5-dihydro-2H-4,1-benzothiazepine-5-carboxylate CAS Name: 6-methoxy-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-4,1-benzothiazepine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methoxy-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-4,1-benzothiazepine-5-carboxylate Traditional Name: 6-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=CC=C2OC)N(CCS1)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1C2=C(C=CC=C2OC)N(CCS1)S(=O)(=O)C3=CC=C(C=C3)C

InChI

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