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

Systemtic Name: methyl 2,7,7-trimethyl-4-(2-methylsulfanylethyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 2,7,7-trimethyl-4-(2-methylsulfanylethyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-4-[2-(methylthio)ethyl]-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2,7,7-trimethyl-4-(2-methylsulfanylethyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-[2-(methylthio)ethyl]-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)CCSC)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)CCSC)C(=O)OC

InChI

InChI=1S/C17H25NO3S/c1-10-14(16(20)21-4)11(6-7-22-5)15-12(18-10)8-17(2,3)9-13(15)19/h11,18H,6-9H2,1-5H3