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

Systemtic Name: ethyl 2-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C(C)N2C(=C(C(=N2)C)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C(C)N2C(=C(C(=N2)C)Cl)C

InChI

InChI=1S/C18H22ClN3O4S/c1-7-26-18(25)13-8(2)15(12(6)23)27-17(13)20-16(24)11(5)22-10(4)14(19)9(3)21-22/h11H,7H2,1-6H3,(H,20,24)