2-ethylsulfanylethyl (4R)-4-(3-hydroxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4R)-4-(3-hydroxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-4-(3-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(3-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R)-4-(3-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(3-hydroxyphenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)O)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@H]1C3=CC(=CC=C3)O)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C23H29NO4S/c1-5-29-10-9-28-22(27)19-14(2)24-17-12-23(3,4)13-18(26)21(17)20(19)15-7-6-8-16(25)11-15/h6-8,11,20,24-25H,5,9-10,12-13H2,1-4H3/t20-/m0/s1