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

Systemtic Name: ethyl 2-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxobutyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H24ClN3O4S MolecularWeight: 425.92956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O4S/c1-7-13(23-11(5)15(20)10(4)22-23)17(25)21-18-14(19(26)27-8-2)9(3)16(28-18)12(6)24/h13H,7-8H2,1-6H3,(H,21,25)