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

Systemtic Name: dimethyl 5-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C18H22ClN3O5S MolecularWeight: 427.90238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O5S/c1-7-11(22-10(4)13(19)9(3)21-22)15(23)20-16-12(17(24)26-5)8(2)14(28-16)18(25)27-6/h11H,7H2,1-6H3,(H,20,23)