ethyl 2,7,7-trimethyl-4-(5-methyl-2-methylsulfanyl-thiophen-3-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 2,7,7-trimethyl-4-(5-methyl-2-methylsulfanyl-thiophen-3-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2,7,7-trimethyl-4-(5-methyl-2-methylsulfanyl-3-thienyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-4-[5-methyl-2-(methylthio)-3-thiophenyl]-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,7,7-trimethyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-[5-methyl-2-(methylthio)-3-thienyl]-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=C(SC(=C3)C)SC)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=C(SC(=C3)C)SC)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C21H27NO3S2/c1-7-25-19(24)16-12(3)22-14-9-21(4,5)10-15(23)18(14)17(16)13-8-11(2)27-20(13)26-6/h8,17,22H,7,9-10H2,1-6H3