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

Systemtic Name: ethyl 4-(5-ethylsulfanyl-2-methyl-furan-3-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-(5-ethylsulfanyl-2-methyl-3-furyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-[5-(ethylthio)-2-methyl-3-furanyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-ethylsulfanyl-2-methylfuran-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-[5-(ethylthio)-2-methyl-3-furyl]-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4S/c1-7-26-21(25)18-12(3)23-15-10-22(5,6)11-16(24)20(15)19(18)14-9-17(28-8-2)27-13(14)4/h9,19,23H,7-8,10-11H2,1-6H3