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

Systemtic Name: 2-ethylsulfanylethyl (4R,7S)-4-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R,7S)-4-(2-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7S)-4-(2-methoxyphenyl)-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,7S)-4-(2-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7S)-5-keto-4-(2-methoxyphenyl)-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-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)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3)N=C1C)C4=CC=CC=C4OC

Isomeric SMILES

CCSCCOC(=O)C1[C@@H](C2=C(C[C@@H](CC2=O)C3=CC=CC=C3)N=C1C)C4=CC=CC=C4OC

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/h5-13,20,25-26H,4,14-17H2,1-3H3/t20-,25?,26-/m0/s1