N-(2-methoxyethyl)-2-(6-oxidanylidene-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(2-methoxyethyl)-2-(6-oxidanylidene-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-5-yl)ethanamide Openeye Name: N-(2-methoxyethyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide CAS Name: N-(2-methoxyethyl)-2-[6-oxo-3-[oxo(1-pyrrolidinyl)methyl]-5-benzo[b][1,4]benzothiazepinyl]acetamide IUPAC Name: N-(2-methoxyethyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide Traditional Name: 2-[6-keto-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]-N-(2-methoxyethyl)acetamide Formula: C23H25N3O4S MolecularWeight: 439.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CN1C2=C(C=CC(=C2)C(=O)N3CCCC3)SC4=CC=CC=C4C1=O

Isomeric SMILES

COCCNC(=O)CN1C2=C(C=CC(=C2)C(=O)N3CCCC3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C23H25N3O4S/c1-30-13-10-24-21(27)15-26-18-14-16(22(28)25-11-4-5-12-25)8-9-20(18)31-19-7-3-2-6-17(19)23(26)29/h2-3,6-9,14H,4-5,10-13,15H2,1H3,(H,24,27)