N-[(3-methoxyphenyl)methyl]-2-(4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-(4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-[4-oxo-7-(1-pyrrolidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: 2-(4-keto-7-pyrrolidinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-m-anisyl-acetamide Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H27N3O5S2/c1-31-18-6-4-5-17(13-18)15-24-22(27)16-26-20-14-19(33(29,30)25-10-2-3-11-25)7-8-21(20)32-12-9-23(26)28/h4-8,13-14H,2-3,9-12,15-16H2,1H3,(H,24,27)