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

Systemtic Name: cyclopentyl (4S,7R)-4-(4-acetyloxyphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: cyclopentyl (4S,7R)-4-(4-acetoxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(4-acetyloxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4S,7R)-4-(4-acetyloxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(4-acetoxyphenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclopentyl ester Formula: C28H29NO5S MolecularWeight: 491.59856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCC3)C4=CC=C(C=C4)OC(=O)C)C(=O)CC(C2)C5=CC=CS5

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC3CCCC3)C4=CC=C(C=C4)OC(=O)C)C(=O)C[C@@H](C2)C5=CC=CS5

InChI

InChI=1S/C28H29NO5S/c1-16-25(28(32)34-20-6-3-4-7-20)26(18-9-11-21(12-10-18)33-17(2)30)27-22(29-16)14-19(15-23(27)31)24-8-5-13-35-24/h5,8-13,19-20,25-26H,3-4,6-7,14-15H2,1-2H3/t19-,25?,26-/m1/s1