[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 5-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 5-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 5-(benzenesulfonylmethyl)-2-furancarboxylic 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-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 5-(besylmethyl)furan-2-carboxylic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C24H23NO6S2 MolecularWeight: 485.57252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H23NO6S2/c1-17-13-14-25(20-9-5-6-10-22(20)32-17)23(26)15-30-24(27)21-12-11-18(31-21)16-33(28,29)19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3