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

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-(6-oxidanylidene-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-5-yl)ethanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-[oxo(1-pyrrolidinyl)methyl]-5-benzo[b][1,4]benzothiazepinyl]acetamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[6-keto-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide Formula: C27H24FN3O3S MolecularWeight: 489.561163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C3=C(C=CC(=C3)C(=O)N4CCCC4)SC5=CC=CC=C5C2=O)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C3=C(C=CC(=C3)C(=O)N4CCCC4)SC5=CC=CC=C5C2=O)F

InChI

InChI=1S/C27H24FN3O3S/c1-17-8-10-19(15-21(17)28)29-25(32)16-31-22-14-18(26(33)30-12-4-5-13-30)9-11-24(22)35-23-7-3-2-6-20(23)27(31)34/h2-3,6-11,14-15H,4-5,12-13,16H2,1H3,(H,29,32)