[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)ethanoate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)ethanoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 2-(2-thienylsulfonylamino)acetate CAS Name: 2-(thiophen-2-ylsulfonylamino)acetic 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-(thiophen-2-ylsulfonylamino)acetate Traditional Name: 2-(2-thienylsulfonylamino)acetic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C18H20N2O5S3 MolecularWeight: 440.5568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S3/c1-13-8-9-20(14-5-2-3-6-15(14)27-13)16(21)12-25-17(22)11-19-28(23,24)18-7-4-10-26-18/h2-7,10,13,19H,8-9,11-12H2,1H3