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

Systemtic Name: 2-ethylsulfanylethyl (4S,7R)-4-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,7R)-4-(2-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(2-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,7R)-4-(2-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7R)-5-keto-4-(2-methoxyphenyl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C28H31NO4S MolecularWeight: 477.61504

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OC)C(=O)CC(C2)C4=CC=CC=C4)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=CC=C3OC)C(=O)C[C@@H](C2)C4=CC=CC=C4)C

InChI

InChI=1S/C28H31NO4S/c1-4-34-15-14-33-28(31)25-18(2)29-22-16-20(19-10-6-5-7-11-19)17-23(30)27(22)26(25)21-12-8-9-13-24(21)32-3/h5-13,20,26,29H,4,14-17H2,1-3H3/t20-,26-/m1/s1