ethyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H28N2O6S2 MolecularWeight: 492.60822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N2O6S2/c1-4-31-23(28)19-15(2)20(16(3)26)32-22(19)24-21(27)17-9-11-18(12-10-17)33(29,30)25-13-7-5-6-8-14-25/h9-12H,4-8,13-14H2,1-3H3,(H,24,27)