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

Systemtic Name: N-(2-methoxyethyl)-2-(4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(2-methoxyethyl)-2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(2-methoxyethyl)-2-[4-oxo-7-(1-pyrrolidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(2-methoxyethyl)-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-(2-methoxyethyl)acetamide Formula: C18H25N3O5S2 MolecularWeight: 427.5382

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CN1C(=O)CCSC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COCCNC(=O)CN1C(=O)CCSC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H25N3O5S2/c1-26-10-7-19-17(22)13-21-15-12-14(28(24,25)20-8-2-3-9-20)4-5-16(15)27-11-6-18(21)23/h4-5,12H,2-3,6-11,13H2,1H3,(H,19,22)