O2-ethyl O4-propyl 5-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propyl 5-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-propyl 5-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester IUPAC Name: 2-O-ethyl 4-O-propyl 5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester Formula: C21H28ClN3O5S MolecularWeight: 469.98212

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(CC)N2C(=C(C(=N2)C)Cl)C

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(CC)N2C(=C(C(=N2)C)Cl)C

InChI

InChI=1S/C21H28ClN3O5S/c1-7-10-30-20(27)15-11(4)17(21(28)29-9-3)31-19(15)23-18(26)14(8-2)25-13(6)16(22)12(5)24-25/h14H,7-10H2,1-6H3,(H,23,26)