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

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-fluoranyl-5-(methylsulfamoyl)benzoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 2-fluoro-5-(methylsulfamoyl)benzoate CAS Name: 2-fluoro-5-(methylsulfamoyl)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] 2-fluoro-5-(methylsulfamoyl)benzoate Traditional Name: 2-fluoro-5-(methylsulfamoyl)benzoic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C20H21FN2O5S2 MolecularWeight: 452.519543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O5S2/c1-13-9-10-23(17-5-3-4-6-18(17)29-13)19(24)12-28-20(25)15-11-14(7-8-16(15)21)30(26,27)22-2/h3-8,11,13,22H,9-10,12H2,1-2H3