ethyl 5-ethanoyl-2-[2-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-2-[2-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-(4-iodo-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-(4-iodo-3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-(4-iodo-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H20IN3O4S MolecularWeight: 489.32787

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CN2C(=C(C(=N2)C)I)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CN2C(=C(C(=N2)C)I)C

InChI

InChI=1S/C17H20IN3O4S/c1-6-25-17(24)13-8(2)15(11(5)22)26-16(13)19-12(23)7-21-10(4)14(18)9(3)20-21/h6-7H2,1-5H3,(H,19,23)