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

Systemtic Name: 2-ethylsulfanylethyl (4R,7R)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R,7R)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7R)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R,7R)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7R)-4-(3,4-dimethoxyphenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-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)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3)N=C1C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCSCCOC(=O)C1[C@@H](C2=C(C[C@H](CC2=O)C3=CC=CC=C3)N=C1C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H33NO5S/c1-5-36-14-13-35-29(32)26-18(2)30-22-15-21(19-9-7-6-8-10-19)16-23(31)28(22)27(26)20-11-12-24(33-3)25(17-20)34-4/h6-12,17,21,26-27H,5,13-16H2,1-4H3/t21-,26?,27+/m1/s1