O2-methyl O4-propyl 5-[[2-(1-ethyl-3-methyl-pyrazol-4-yl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-methyl O4-propyl 5-[[2-(1-ethyl-3-methyl-pyrazol-4-yl)quinolin-4-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-methyl O4-propyl 5-[[2-(1-ethyl-3-methyl-pyrazol-4-yl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[2-(1-ethyl-3-methyl-4-pyrazolyl)-4-quinolinyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-methyl ester O4-propyl ester IUPAC Name: 2-O-methyl 4-O-propyl 5-[[2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(1-ethyl-3-methyl-pyrazol-4-yl)quinoline-4-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-methyl ester O4-propyl ester Formula: C27H28N4O5S MolecularWeight: 520.60002

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN(N=C4C)CC

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN(N=C4C)CC

InChI

InChI=1S/C27H28N4O5S/c1-6-12-36-26(33)22-15(3)23(27(34)35-5)37-25(22)29-24(32)18-13-21(19-14-31(7-2)30-16(19)4)28-20-11-9-8-10-17(18)20/h8-11,13-14H,6-7,12H2,1-5H3,(H,29,32)