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

Systemtic Name: methyl 2-methylidene-5-oxidanylidene-4-(3-phenoxyphenyl)-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: methyl 2-methylene-5-oxo-4-(3-phenoxyphenyl)-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 2-methylene-5-oxo-4-(3-phenoxyphenyl)-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methylidene-5-oxo-4-(3-phenoxyphenyl)-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-4-(3-phenoxyphenyl)-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid methyl ester Formula: C28H25NO4S MolecularWeight: 471.5674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)NC1=C)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)NC1=C)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H25NO4S/c1-17-25(28(31)32-2)26(18-8-6-11-21(14-18)33-20-9-4-3-5-10-20)27-22(29-17)15-19(16-23(27)30)24-12-7-13-34-24/h3-14,19,25-26,29H,1,15-16H2,2H3