O2-ethyl O4-propyl 3-methyl-5-[3-(3-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propyl 3-methyl-5-[3-(3-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-propyl 3-methyl-5-[3-(3-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-(3-methyl-1-pyrazolyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester IUPAC Name: 2-O-ethyl 4-O-propyl 3-methyl-5-[3-(3-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(3-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5S/c1-5-11-27-18(24)15-13(4)16(19(25)26-6-2)28-17(15)20-14(23)8-10-22-9-7-12(3)21-22/h7,9H,5-6,8,10-11H2,1-4H3,(H,20,23)