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

Systemtic Name: [2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl] 3-sulfamoylthiophene-2-carboxylate Openeye Name: [2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl] 3-sulfamoylthiophene-2-carboxylate CAS Name: 3-sulfamoyl-2-thiophenecarboxylic acid [2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl] 3-sulfamoylthiophene-2-carboxylate Traditional Name: 3-sulfamoylthiophene-2-carboxylic acid [2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl] ester Formula: C17H18N2O5S3 MolecularWeight: 426.53022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=C(C=CS3)S(=O)(=O)N

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=C(C=CS3)S(=O)(=O)N

InChI

InChI=1S/C17H18N2O5S3/c1-11-6-8-19(12-4-2-3-5-13(12)26-11)15(20)10-24-17(21)16-14(7-9-25-16)27(18,22)23/h2-5,7,9,11H,6,8,10H2,1H3,(H2,18,22,23)/t11-/m0/s1