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

Systemtic Name: methyl 2-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxobutyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H20ClN3O3S MolecularWeight: 369.8663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O3S/c1-6-12(20-10(4)13(17)9(3)19-20)14(21)18-15-11(16(22)23-5)7-8(2)24-15/h7,12H,6H2,1-5H3,(H,18,21)