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

Systemtic Name: methyl 5-aminocarbonyl-2-[2-(4-chloranylpyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-2-[2-(4-chloropyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-(4-chloro-1-pyrazolyl)-1-oxobutyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-2-[2-(4-chloropyrazol-1-yl)butanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[2-(4-chloropyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C15H17ClN4O4S MolecularWeight: 384.83788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN4O4S/c1-4-9(20-6-8(16)5-18-20)13(22)19-14-10(15(23)24-3)7(2)11(25-14)12(17)21/h5-6,9H,4H2,1-3H3,(H2,17,21)(H,19,22)