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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)SC)C2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(S1)SC)[C@H]2C3C(=NC(=C2C(=O)OC)C)C[C@H](CC3=O)C4=CC=CC=C4

InChI

InChI=1S/C24H25NO3S2/c1-13-10-17(24(29-4)30-13)21-20(23(27)28-3)14(2)25-18-11-16(12-19(26)22(18)21)15-8-6-5-7-9-15/h5-10,16,21-22H,11-12H2,1-4H3/t16-,21-,22?/m1/s1