[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C22H23FN2O5S MolecularWeight: 446.491823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F)NC(=O)C)C

InChI

InChI=1S/C22H23FN2O5S/c1-12-13(2)31-19(24-14(3)26)18(12)22(29)30-17-6-4-5-11-25(21(17)28)20(27)15-7-9-16(23)10-8-15/h7-10,17H,4-6,11H2,1-3H3,(H,24,26)