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

Systemtic Name: 2-ethylsulfanylethyl (4R,4aS)-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R,4aS)-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,4aS)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R,4aS)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,4aS)-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-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)C1=C(N=C2CCCC(=O)C2C1C3=CC(=C(C=C3)O)OC)C

Isomeric SMILES

CCSCCOC(=O)C1=C(N=C2CCCC(=O)[C@H]2[C@@H]1C3=CC(=C(C=C3)O)OC)C

InChI

InChI=1S/C22H27NO5S/c1-4-29-11-10-28-22(26)19-13(2)23-15-6-5-7-17(25)21(15)20(19)14-8-9-16(24)18(12-14)27-3/h8-9,12,20-21,24H,4-7,10-11H2,1-3H3/t20-,21+/m1/s1