methyl 2-[2-(4-chloranylpyrazol-1-yl)butanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-chloranylpyrazol-1-yl)butanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-chloropyrazol-1-yl)butanoylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-chloro-1-pyrazolyl)-1-oxobutyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-chloropyrazol-1-yl)butanoylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[2-(4-chloropyrazol-1-yl)butanoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O3S/c1-4-11(18-7-9(15)6-16-18)12(19)17-13-10(14(20)21-3)5-8(2)22-13/h5-7,11H,4H2,1-3H3,(H,17,19)