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

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-fluoranyl-benzoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-fluoro-benzoate CAS Name: 5-(diethylsulfamoyl)-2-fluorobenzoic 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] 5-(diethylsulfamoyl)-2-fluorobenzoate Traditional Name: 5-(diethylsulfamoyl)-2-fluoro-benzoic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C23H27FN2O5S2 MolecularWeight: 494.599283

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC(=O)N2CCC(SC3=CC=CC=C32)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC(=O)N2CCC(SC3=CC=CC=C32)C

InChI

InChI=1S/C23H27FN2O5S2/c1-4-25(5-2)33(29,30)17-10-11-19(24)18(14-17)23(28)31-15-22(27)26-13-12-16(3)32-21-9-7-6-8-20(21)26/h6-11,14,16H,4-5,12-13,15H2,1-3H3