2-ethylsulfanylethyl (4S)-4-(4-methoxy-3-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S)-4-(4-methoxy-3-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-4-(3-hydroxy-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-4-(3-hydroxy-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(3-hydroxy-4-methoxy-phenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C24H31NO5S MolecularWeight: 445.57164

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO5S/c1-6-31-10-9-30-23(28)20-14(2)25-16-12-24(3,4)13-18(27)22(16)21(20)15-7-8-19(29-5)17(26)11-15/h7-8,11,20-21,26H,6,9-10,12-13H2,1-5H3/t20?,21-/m1/s1