O2-methyl O4-propyl 5-[[(E)-3-(1-ethyl-5-methyl-pyrazol-4-yl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-methyl O4-propyl 5-[[(E)-3-(1-ethyl-5-methyl-pyrazol-4-yl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-methyl O4-propyl 5-[[(E)-3-(1-ethyl-5-methyl-pyrazol-4-yl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(E)-3-(1-ethyl-5-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-methyl ester O4-propyl ester IUPAC Name: 2-O-methyl 4-O-propyl 5-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(E)-3-(1-ethyl-5-methyl-pyrazol-4-yl)acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-methyl ester O4-propyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C=CC2=C(N(N=C2)CC)C

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)/C=C/C2=C(N(N=C2)CC)C

InChI

InChI=1S/C20H25N3O5S/c1-6-10-28-19(25)16-12(3)17(20(26)27-5)29-18(16)22-15(24)9-8-14-11-21-23(7-2)13(14)4/h8-9,11H,6-7,10H2,1-5H3,(H,22,24)/b9-8+