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

Systemtic Name: methyl 2-[3-(4-iodanyl-5-methyl-pyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-iodo-5-methyl-pyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-iodo-5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-iodo-5-methylpyrazol-1-yl)propanoylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[3-(4-iodo-5-methyl-pyrazol-1-yl)propanoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H16IN3O3S MolecularWeight: 433.26461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16IN3O3S/c1-8-6-10(14(20)21-3)13(22-8)17-12(19)4-5-18-9(2)11(15)7-16-18/h6-7H,4-5H2,1-3H3,(H,17,19)