ethyl 2-(azepan-1-ylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(azepan-1-ylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(azepane-1-carbonylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[1-azepanyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(azepane-1-carbonylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(azepane-1-carbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)N2CCCCCC2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)N2CCCCCC2

InChI

InChI=1S/C16H24N2O3S/c1-4-21-15(19)13-11(2)12(3)22-14(13)17-16(20)18-9-7-5-6-8-10-18/h4-10H2,1-3H3,(H,17,20)