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

Systemtic Name: ethyl (4R,7S)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: ethyl (4R,7S)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7S)-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,7S)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7S)-5-keto-2-methyl-4-[4-(methylthio)phenyl]-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester Formula: C24H25NO3S2 MolecularWeight: 439.5902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)N=C1C)C4=CC=C(C=C4)SC

Isomeric SMILES

CCOC(=O)C1[C@@H](C2=C(C[C@@H](CC2=O)C3=CC=CS3)N=C1C)C4=CC=C(C=C4)SC

InChI

InChI=1S/C24H25NO3S2/c1-4-28-24(27)21-14(2)25-18-12-16(20-6-5-11-30-20)13-19(26)23(18)22(21)15-7-9-17(29-3)10-8-15/h5-11,16,21-22H,4,12-13H2,1-3H3/t16-,21?,22-/m0/s1