(4-methoxyphenyl)methyl (4R,7R)-2-methyl-5-oxidanylidene-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (4R,7R)-2-methyl-5-oxidanylidene-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: (4-methoxyphenyl)methyl (4R,7R)-2-methyl-5-oxo-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7R)-2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (4R,7R)-2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7R)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid p-anisyl ester Formula: C27H25NO4S2 MolecularWeight: 491.6217

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC3=CC=C(C=C3)OC)C4=CC=CS4)C(=O)CC(C2)C5=CC=CS5

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCC3=CC=C(C=C3)OC)C4=CC=CS4)C(=O)C[C@@H](C2)C5=CC=CS5

InChI

InChI=1S/C27H25NO4S2/c1-16-24(27(30)32-15-17-7-9-19(31-2)10-8-17)26(23-6-4-12-34-23)25-20(28-16)13-18(14-21(25)29)22-5-3-11-33-22/h3-12,18,24,26H,13-15H2,1-2H3/t18-,24?,26-/m1/s1