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

Systemtic Name: ethyl (4S,7S)-2-methyl-4-(5-methyl-2-methylsulfanyl-thiophen-3-yl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: ethyl (4S,7S)-2-methyl-4-(5-methyl-2-methylsulfanyl-3-thienyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7S)-2-methyl-4-[5-methyl-2-(methylthio)-3-thiophenyl]-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,7S)-2-methyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7S)-5-keto-2-methyl-4-[5-methyl-2-(methylthio)-3-thienyl]-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester Formula: C25H27NO3S2 MolecularWeight: 453.61678

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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=C(SC(=C4)C)SC

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO3S2/c1-5-29-24(28)21-15(3)26-19-12-17(16-9-7-6-8-10-16)13-20(27)23(19)22(21)18-11-14(2)31-25(18)30-4/h6-11,17,21-22H,5,12-13H2,1-4H3/t17-,21?,22-/m0/s1