methyl 4-(4-acetyloxy-3-methoxy-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: methyl 4-(4-acetyloxy-3-methoxy-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-(4-acetoxy-3-methoxy-phenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(4-acetyloxy-3-methoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-acetyloxy-3-methoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(4-acetoxy-3-methoxy-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C25H25NO6S MolecularWeight: 467.5341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)OC

InChI

InChI=1S/C25H25NO6S/c1-13-22(25(29)31-4)23(15-7-8-19(32-14(2)27)20(12-15)30-3)24-17(26-13)10-16(11-18(24)28)21-6-5-9-33-21/h5-10,12,16,23-24,26H,11H2,1-4H3