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

Systemtic Name: cyclopentyl (4S,7R)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: cyclopentyl (4S,7R)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(2,5-dimethoxyphenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclopentyl ester Formula: C28H31NO5S MolecularWeight: 493.61444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO5S/c1-16-25(28(31)34-18-7-4-5-8-18)26(20-15-19(32-2)10-11-23(20)33-3)27-21(29-16)13-17(14-22(27)30)24-9-6-12-35-24/h6,9-12,15,17-18,25-26H,4-5,7-8,13-14H2,1-3H3/t17-,25?,26-/m1/s1