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

Systemtic Name: ethyl 4-(5-ethyl-2-ethylsulfanyl-thiophen-3-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H31NO3S2 MolecularWeight: 433.62714

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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)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3S2/c1-7-14-10-15(22(29-14)28-9-3)19-18(21(26)27-8-2)13(4)24-16-11-23(5,6)12-17(25)20(16)19/h10,19,24H,7-9,11-12H2,1-6H3