ethyl 2-[[4-(cyclohexylamino)-3-nitro-phenyl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(cyclohexylamino)-3-nitro-phenyl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(cyclohexylamino)-3-nitro-benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(cyclohexylamino)-3-nitrophenyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(cyclohexylamino)-3-nitrobenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-(cyclohexylamino)-3-nitro-benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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)NC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=C(C=C2)NC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5S/c1-4-30-22(27)19-13(2)14(3)31-21(19)24-20(26)15-10-11-17(18(12-15)25(28)29)23-16-8-6-5-7-9-16/h10-12,16,23H,4-9H2,1-3H3,(H,24,26)