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

Systemtic Name: 2-methylpropyl 2-methyl-5-oxidanylidene-4-(4-oxidanylidenechromen-3-yl)-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isobutyl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-4-(4-oxo-1-benzopyran-3-yl)-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-4-(4-ketochromen-3-yl)-2-methyl-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid isobutyl ester Formula: C28H27NO5S MolecularWeight: 489.58268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=COC5=CC=CC=C5C4=O)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=COC5=CC=CC=C5C4=O)C(=O)OCC(C)C

InChI

InChI=1S/C28H27NO5S/c1-15(2)13-34-28(32)24-16(3)29-20-11-17(23-9-6-10-35-23)12-21(30)26(20)25(24)19-14-33-22-8-5-4-7-18(22)27(19)31/h4-11,14-15,17,25-26,29H,12-13H2,1-3H3