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

Systemtic Name: methyl 4-(5-ethylsulfanyl-2-methyl-furan-3-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C(O1)C)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C

Isomeric SMILES

CCSC1=CC(=C(O1)C)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C

InChI

InChI=1S/C21H27NO4S/c1-7-27-16-8-13(12(3)26-16)18-17(20(24)25-6)11(2)22-14-9-21(4,5)10-15(23)19(14)18/h8,18,22H,7,9-10H2,1-6H3