diethyl 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2C(=CC(=N2)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2C(=CC(=N2)C)C

InChI

InChI=1S/C19H25N3O5S/c1-6-26-18(24)15-13(5)16(19(25)27-7-2)28-17(15)20-14(23)8-9-22-12(4)10-11(3)21-22/h10H,6-9H2,1-5H3,(H,20,23)