ethyl 2,7,7-trimethyl-4-(5-methyl-4-nitro-thiophen-2-yl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 2,7,7-trimethyl-4-(5-methyl-4-nitro-thiophen-2-yl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2,7,7-trimethyl-4-(5-methyl-4-nitro-2-thienyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-4-(5-methyl-4-nitro-2-thiophenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,7,7-trimethyl-4-(5-methyl-4-nitrothiophen-2-yl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(5-methyl-4-nitro-2-thienyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC(=C(S3)C)[N+](=O)[O-])(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC(=C(S3)C)[N+](=O)[O-])(C)C)C

InChI

InChI=1S/C20H24N2O5S/c1-6-27-19(24)16-10(2)21-12-8-20(4,5)9-14(23)17(12)18(16)15-7-13(22(25)26)11(3)28-15/h7-8,17-18,21H,6,9H2,1-5H3