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

Systemtic Name: 2-ethylsulfanylethyl (4S,7R)-4,7-bis(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,7R)-4,7-bis(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7R)-4,7-bis(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,7R)-4,7-bis(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7R)-5-keto-4,7-bis(4-methoxyphenyl)-2-methyl-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=CC=C(C=C3)OC)C(=O)CC(C2)C4=CC=C(C=C4)OC)C

Isomeric SMILES

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

InChI

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