methyl (4S)-2,7,7-trimethyl-4-(5-methyl-2-methylsulfanyl-thiophen-3-yl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl (4S)-2,7,7-trimethyl-4-(5-methyl-2-methylsulfanyl-thiophen-3-yl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4S)-2,7,7-trimethyl-4-(5-methyl-2-methylsulfanyl-3-thienyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-4-[5-methyl-2-(methylthio)-3-thiophenyl]-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2,7,7-trimethyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-[5-methyl-2-(methylthio)-3-thienyl]-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C20H25NO3S2 MolecularWeight: 391.5474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3S2/c1-10-7-12(19(25-6)26-10)16-15(18(23)24-5)11(2)21-13-8-20(3,4)9-14(22)17(13)16/h7,16-17H,8-9H2,1-6H3/t16-,17?/m1/s1