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

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 3-(dimethylsulfamoyl)benzoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 3-(dimethylsulfamoyl)benzoate CAS Name: 3-(dimethylsulfamoyl)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] 3-(dimethylsulfamoyl)benzoate Traditional Name: 3-(dimethylsulfamoyl)benzoic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S2/c1-15-11-12-23(18-9-4-5-10-19(18)29-15)20(24)14-28-21(25)16-7-6-8-17(13-16)30(26,27)22(2)3/h4-10,13,15H,11-12,14H2,1-3H3