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

Systemtic Name: 2-methylpropyl 2-methyl-5-oxidanylidene-7-thiophen-2-yl-4-(3,4,5-trimethoxyphenyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C28H33NO6S MolecularWeight: 511.62972

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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)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H33NO6S/c1-15(2)14-35-28(31)24-16(3)29-19-10-17(23-8-7-9-36-23)11-20(30)26(19)25(24)18-12-21(32-4)27(34-6)22(13-18)33-5/h7-10,12-13,15,17,25-26,29H,11,14H2,1-6H3