2-ethylsulfanylethyl (4R)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4R)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2,7,7-trimethyl-4-[4-(methylthio)phenyl]-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-2,7,7-trimethyl-4-[4-(methylthio)phenyl]-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C24H31NO3S2 MolecularWeight: 445.63784

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=C(C=C3)SC

Isomeric SMILES

CCSCCOC(=O)C1[C@@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=C(C=C3)SC

InChI

InChI=1S/C24H31NO3S2/c1-6-30-12-11-28-23(27)20-15(2)25-18-13-24(3,4)14-19(26)22(18)21(20)16-7-9-17(29-5)10-8-16/h7-10,20-21H,6,11-14H2,1-5H3/t20?,21-/m0/s1