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

Systemtic Name: ethyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2,7,7-trimethyl-4-(5-methyl-2-thienyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-4-(5-methyl-2-thiophenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,7,7-trimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(5-methyl-2-thienyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=C(S3)C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=C(S3)C)(C)C)C

InChI

InChI=1S/C20H25NO3S/c1-6-24-19(23)16-12(3)21-13-9-20(4,5)10-14(22)17(13)18(16)15-8-7-11(2)25-15/h7-9,17-18,21H,6,10H2,1-5H3