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

Systemtic Name: ethyl 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(1-azepanylsulfonyl)-4-methylphenyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(azepan-1-ylsulfonyl)-4-methylbenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H30N2O5S2 MolecularWeight: 478.6247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S2/c1-5-30-23(27)20-16(3)17(4)31-22(20)24-21(26)18-11-10-15(2)19(14-18)32(28,29)25-12-8-6-7-9-13-25/h10-11,14H,5-9,12-13H2,1-4H3,(H,24,26)