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

Systemtic Name: ethyl 2-[3-(4-chloranylpyrazol-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-chloropyrazol-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-chloro-1-pyrazolyl)-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-chloropyrazol-1-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[3-(4-chloropyrazol-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C15H18ClN3O3S MolecularWeight: 355.83972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2C=C(C=N2)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2C=C(C=N2)Cl

InChI

InChI=1S/C15H18ClN3O3S/c1-4-22-15(21)13-9(2)10(3)23-14(13)18-12(20)5-6-19-8-11(16)7-17-19/h7-8H,4-6H2,1-3H3,(H,18,20)