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

Systemtic Name: ethyl 5-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C#N)C

InChI

InChI=1S/C22H25N3O5S2/c1-3-30-22(27)19-15(2)18(14-23)21(31-19)24-20(26)16-8-10-17(11-9-16)32(28,29)25-12-6-4-5-7-13-25/h8-11H,3-7,12-13H2,1-2H3,(H,24,26)