ethyl 2-[2-(4-chloranylpyrazol-1-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-chloranylpyrazol-1-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-chloropyrazol-1-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-chloro-1-pyrazolyl)-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chloropyrazol-1-yl)butanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[2-(4-chloropyrazol-1-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl 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)C(=O)OCC)N2C=C(C=N2)Cl

Isomeric SMILES

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

InChI

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