ethyl 5-(azepan-1-ylcarbonyl)-2-[(2-fluorophenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(azepan-1-ylcarbonyl)-2-[(2-fluorophenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(azepane-1-carbonyl)-2-[(2-fluorobenzoyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[1-azepanyl(oxo)methyl]-2-[[(2-fluorophenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(azepane-1-carbonyl)-2-[(2-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(azepane-1-carbonyl)-2-[(2-fluorobenzoyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H25FN2O4S MolecularWeight: 432.508303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCCC2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCCC2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H25FN2O4S/c1-3-29-22(28)17-14(2)18(21(27)25-12-8-4-5-9-13-25)30-20(17)24-19(26)15-10-6-7-11-16(15)23/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3,(H,24,26)