methyl 2-[3-(4-chloranylpyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4-chloranylpyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-chloropyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-chloro-1-pyrazolyl)-1-oxopropyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-chloropyrazol-1-yl)propanoylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[3-(4-chloropyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H14ClN3O3S MolecularWeight: 327.78656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CCN2C=C(C=N2)Cl)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CCN2C=C(C=N2)Cl)C(=O)OC

InChI

InChI=1S/C13H14ClN3O3S/c1-8-5-10(13(19)20-2)12(21-8)16-11(18)3-4-17-7-9(14)6-15-17/h5-7H,3-4H2,1-2H3,(H,16,18)