O2-tert-butyl O4-ethyl 5-[[2-(4-ethoxyphenyl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 5-[[2-(4-ethoxyphenyl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[2-(4-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(2-p-phenetylquinoline-4-carbonyl)amino]thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C31H32N2O6S MolecularWeight: 560.66058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)OC(C)(C)C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)OC(C)(C)C)C)C(=O)OCC

InChI

InChI=1S/C31H32N2O6S/c1-7-37-20-15-13-19(14-16-20)24-17-22(21-11-9-10-12-23(21)32-24)27(34)33-28-25(29(35)38-8-2)18(3)26(40-28)30(36)39-31(4,5)6/h9-17H,7-8H2,1-6H3,(H,33,34)