2-ethylsulfanylethyl (4R)-4-(4-methoxy-3-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4R)-4-(4-methoxy-3-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-4-(3-hydroxy-4-methoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R)-4-(3-hydroxy-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R)-4-(3-hydroxy-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R)-4-(3-hydroxy-4-methoxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(C2=C(CCCC2=O)N=C1C)C3=CC(=C(C=C3)OC)O

Isomeric SMILES

CCSCCOC(=O)C1[C@@H](C2=C(CCCC2=O)N=C1C)C3=CC(=C(C=C3)OC)O

InChI

InChI=1S/C22H27NO5S/c1-4-29-11-10-28-22(26)19-13(2)23-15-6-5-7-16(24)21(15)20(19)14-8-9-18(27-3)17(25)12-14/h8-9,12,19-20,25H,4-7,10-11H2,1-3H3/t19?,20-/m0/s1