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

Systemtic Name: methyl (4R,7S)-4-(3-hydroxyphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: methyl (4R,7S)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7S)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4R,7S)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7S)-4-(3-hydroxyphenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester Formula: C22H21NO4S MolecularWeight: 395.47144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=CC(=CC=C3)O)C(=O)CC(C2)C4=CC=CS4

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC)C3=CC(=CC=C3)O)C(=O)C[C@H](C2)C4=CC=CS4

InChI

InChI=1S/C22H21NO4S/c1-12-19(22(26)27-2)20(13-5-3-6-15(24)9-13)21-16(23-12)10-14(11-17(21)25)18-7-4-8-28-18/h3-9,14,19-20,24H,10-11H2,1-2H3/t14-,19?,20-/m0/s1