phenethyl 4-(5-methylfuran-2-yl)-2-methylidene-5-oxidanylidene-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: phenethyl 4-(5-methylfuran-2-yl)-2-methylidene-5-oxidanylidene-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: phenethyl 2-methylene-4-(5-methyl-2-furyl)-5-oxo-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 2-methylene-4-(5-methyl-2-furanyl)-5-oxo-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(5-methylfuran-2-yl)-2-methylidene-5-oxo-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-4-(5-methyl-2-furyl)-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester Formula: C28H27NO4S MolecularWeight: 473.58328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C(C(=C)NC3=C2C(=O)CC(C3)C4=CC=CS4)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(O1)C2C(C(=C)NC3=C2C(=O)CC(C3)C4=CC=CS4)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C28H27NO4S/c1-17-10-11-23(33-17)27-25(28(31)32-13-12-19-7-4-3-5-8-19)18(2)29-21-15-20(16-22(30)26(21)27)24-9-6-14-34-24/h3-11,14,20,25,27,29H,2,12-13,15-16H2,1H3