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

Systemtic Name: phenethyl 2-methyl-5-oxidanylidene-7-thiophen-2-yl-4-(3,4,5-trimethoxyphenyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 2-methyl-5-oxo-7-(2-thienyl)-4-(3,4,5-trimethoxyphenyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-7-thiophen-2-yl-4-(3,4,5-trimethoxyphenyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2-methyl-5-oxo-7-thiophen-2-yl-4-(3,4,5-trimethoxyphenyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-7-(2-thienyl)-4-(3,4,5-trimethoxyphenyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C32H33NO6S MolecularWeight: 559.67252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C32H33NO6S/c1-19-28(32(35)39-13-12-20-9-6-5-7-10-20)29(22-17-25(36-2)31(38-4)26(18-22)37-3)30-23(33-19)15-21(16-24(30)34)27-11-8-14-40-27/h5-11,14-15,17-18,21,29-30,33H,12-13,16H2,1-4H3