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

Systemtic Name: phenethyl (4S,7R)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: phenethyl (4S,7R)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S,7R)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(3,4-dimethoxyphenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester Formula: C31H31NO5S MolecularWeight: 529.64654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C(=O)CC(C2)C5=CC=CS5

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C(=O)C[C@@H](C2)C5=CC=CS5

InChI

InChI=1S/C31H31NO5S/c1-19-28(31(34)37-14-13-20-8-5-4-6-9-20)29(21-11-12-25(35-2)26(18-21)36-3)30-23(32-19)16-22(17-24(30)33)27-10-7-15-38-27/h4-12,15,18,22,28-29H,13-14,16-17H2,1-3H3/t22-,28?,29-/m1/s1