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

Systemtic Name: methyl 5-aminocarbonyl-2-[3-(4-chloranylpyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-2-[3-(4-chloropyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[3-(4-chloro-1-pyrazolyl)-1-oxopropyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-2-[3-(4-chloropyrazol-1-yl)propanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[3-(4-chloropyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H15ClN4O4S MolecularWeight: 370.8113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C=C(C=N2)Cl)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C=C(C=N2)Cl)C(=O)N

InChI

InChI=1S/C14H15ClN4O4S/c1-7-10(14(22)23-2)13(24-11(7)12(16)21)18-9(20)3-4-19-6-8(15)5-17-19/h5-6H,3-4H2,1-2H3,(H2,16,21)(H,18,20)