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

Systemtic Name: N-(2-chloranyl-4-fluoranyl-phenyl)-2-(6-oxidanylidene-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-5-yl)ethanamide Openeye Name: N-(2-chloro-4-fluoro-phenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide CAS Name: N-(2-chloro-4-fluorophenyl)-2-[6-oxo-3-[oxo(1-pyrrolidinyl)methyl]-5-benzo[b][1,4]benzothiazepinyl]acetamide IUPAC Name: N-(2-chloro-4-fluorophenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide Traditional Name: N-(2-chloro-4-fluoro-phenyl)-2-[6-keto-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide Formula: C26H21ClFN3O3S MolecularWeight: 509.979643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC(=O)NC5=C(C=C(C=C5)F)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC(=O)NC5=C(C=C(C=C5)F)Cl

InChI

InChI=1S/C26H21ClFN3O3S/c27-19-14-17(28)8-9-20(19)29-24(32)15-31-21-13-16(25(33)30-11-3-4-12-30)7-10-23(21)35-22-6-2-1-5-18(22)26(31)34/h1-2,5-10,13-14H,3-4,11-12,15H2,(H,29,32)