ethyl 5-(azepan-1-ylcarbonyl)-4-methyl-2-(thiophen-2-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(azepan-1-ylcarbonyl)-4-methyl-2-(thiophen-2-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-(azepane-1-carbonyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate CAS Name: 5-[1-azepanyl(oxo)methyl]-4-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(azepane-1-carbonyl)-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate Traditional Name: 5-(azepane-1-carbonyl)-4-methyl-2-(2-thenoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCCC2)NC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCCC2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N2O4S2/c1-3-26-20(25)15-13(2)16(19(24)22-10-6-4-5-7-11-22)28-18(15)21-17(23)14-9-8-12-27-14/h8-9,12H,3-7,10-11H2,1-2H3,(H,21,23)