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

Systemtic Name: 2-ethylsulfanylethyl (4R)-4-(4-acetyloxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-4-(4-acetoxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(4-acetyloxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R)-4-(4-acetyloxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(4-acetoxy-3-methoxy-phenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C26H33NO6S MolecularWeight: 487.60832

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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)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO6S/c1-7-34-11-10-32-25(30)22-15(2)27-18-13-26(4,5)14-19(29)24(18)23(22)17-8-9-20(33-16(3)28)21(12-17)31-6/h8-9,12,22-23H,7,10-11,13-14H2,1-6H3/t22?,23-/m0/s1