2-ethylsulfanylethyl (4R,7R)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4R,7R)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R,7R)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4R,7R)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R,7R)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4R,7R)-4-(2,4-dimethoxyphenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C29H33NO5S MolecularWeight: 507.64102

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=C(C=C(C=C3)OC)OC)C(=O)CC(C2)C4=CC=CC=C4)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@H]1C3=C(C=C(C=C3)OC)OC)C(=O)C[C@@H](C2)C4=CC=CC=C4)C

InChI

InChI=1S/C29H33NO5S/c1-5-36-14-13-35-29(32)26-18(2)30-23-15-20(19-9-7-6-8-10-19)16-24(31)28(23)27(26)22-12-11-21(33-3)17-25(22)34-4/h6-12,17,20,27,30H,5,13-16H2,1-4H3/t20-,27+/m1/s1