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

Systemtic Name: ethyl (4R,7R)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: ethyl (4R,7R)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7R)-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,7R)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7R)-5-keto-2-methyl-4-[4-(methylthio)phenyl]-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester Formula: C26H27NO3S MolecularWeight: 433.56248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3)N=C1C)C4=CC=C(C=C4)SC

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO3S/c1-4-30-26(29)23-16(2)27-21-14-19(17-8-6-5-7-9-17)15-22(28)25(21)24(23)18-10-12-20(31-3)13-11-18/h5-13,19,23-24H,4,14-15H2,1-3H3/t19-,23?,24+/m1/s1