N-(4-ethoxyphenyl)-2-(4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-(4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(4-ethoxyphenyl)-2-[4-oxo-7-(1-pyrrolidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(4-ethoxyphenyl)-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-p-phenetyl-acetamide Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H27N3O5S2/c1-2-31-18-7-5-17(6-8-18)24-22(27)16-26-20-15-19(33(29,30)25-12-3-4-13-25)9-10-21(20)32-14-11-23(26)28/h5-10,15H,2-4,11-14,16H2,1H3,(H,24,27)