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

Systemtic Name: (phenylmethyl) 2-methyl-4-(5-methylfuran-2-yl)-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: benzyl 2-methyl-4-(5-methyl-2-furyl)-5-oxo-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-4-(5-methyl-2-furanyl)-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-(5-methyl-2-furyl)-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester Formula: C27H25NO4S MolecularWeight: 459.5567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OCC4=CC=CC=C4)C)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(O1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OCC4=CC=CC=C4)C)C5=CC=CS5

InChI

InChI=1S/C27H25NO4S/c1-16-10-11-22(32-16)26-24(27(30)31-15-18-7-4-3-5-8-18)17(2)28-20-13-19(14-21(29)25(20)26)23-9-6-12-33-23/h3-13,19,25-26,28H,14-15H2,1-2H3