[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 4-(tert-butylsulfamoyl)benzoate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 4-(tert-butylsulfamoyl)benzoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 4-(tert-butylsulfamoyl)benzoate CAS Name: 4-(tert-butylsulfamoyl)benzoic acid [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] 4-(tert-butylsulfamoyl)benzoate Traditional Name: 4-(tert-butylsulfamoyl)benzoic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NC(C)(C)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NC(C)(C)C

InChI

InChI=1S/C23H28N2O5S2/c1-16-13-14-25(19-7-5-6-8-20(19)31-16)21(26)15-30-22(27)17-9-11-18(12-10-17)32(28,29)24-23(2,3)4/h5-12,16,24H,13-15H2,1-4H3