diethyl 5-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C20H26ClN3O5S MolecularWeight: 455.95554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC)N2C(=C(C(=N2)C)Cl)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC)N2C(=C(C(=N2)C)Cl)C

InChI

InChI=1S/C20H26ClN3O5S/c1-7-13(24-12(6)15(21)11(5)23-24)17(25)22-18-14(19(26)28-8-2)10(4)16(30-18)20(27)29-9-3/h13H,7-9H2,1-6H3,(H,22,25)