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

Systemtic Name: methyl (4S,7R)-4-(2-butoxyphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: methyl (4S,7R)-4-(2-butoxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(2-butoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S,7R)-4-(2-butoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(2-butoxyphenyl)-5-keto-2-methyl-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid methyl ester Formula: C26H29NO4S MolecularWeight: 451.57776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)C4=CC=CS4

Isomeric SMILES

CCCCOC1=CC=CC=C1[C@@H]2C3C(=NC(=C2C(=O)OC)C)C[C@H](CC3=O)C4=CC=CS4

InChI

InChI=1S/C26H29NO4S/c1-4-5-12-31-21-10-7-6-9-18(21)24-23(26(29)30-3)16(2)27-19-14-17(15-20(28)25(19)24)22-11-8-13-32-22/h6-11,13,17,24-25H,4-5,12,14-15H2,1-3H3/t17-,24+,25?/m1/s1