O2-ethyl O4-propan-2-yl 5-[3-(4-iodanyl-5-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propan-2-yl 5-[3-(4-iodanyl-5-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 5-[3-(4-iodo-5-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(4-iodo-5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propan-2-yl ester IUPAC Name: 2-O-ethyl 4-O-propan-2-yl 5-[3-(4-iodo-5-methylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(4-iodo-5-methyl-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-isopropyl ester Formula: C19H24IN3O5S MolecularWeight: 533.38043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C(=C(C=N2)I)C)C(=O)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C(=C(C=N2)I)C)C(=O)OC(C)C)C

InChI

InChI=1S/C19H24IN3O5S/c1-6-27-19(26)16-11(4)15(18(25)28-10(2)3)17(29-16)22-14(24)7-8-23-12(5)13(20)9-21-23/h9-10H,6-8H2,1-5H3,(H,22,24)