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

Systemtic Name: methyl 4-(5-ethyl-2-ethylsulfanyl-thiophen-3-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 4-(5-ethyl-2-ethylsulfanyl-3-thienyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-[5-ethyl-2-(ethylthio)-3-thiophenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-[5-ethyl-2-(ethylthio)-3-thienyl]-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C22H29NO3S2 MolecularWeight: 419.60056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)SCC)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C

Isomeric SMILES

CCC1=CC(=C(S1)SCC)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C

InChI

InChI=1S/C22H29NO3S2/c1-7-13-9-14(21(28-13)27-8-2)18-17(20(25)26-6)12(3)23-15-10-22(4,5)11-16(24)19(15)18/h9,18,23H,7-8,10-11H2,1-6H3