methyl 5-aminocarbonyl-2-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-2-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxobutyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H21ClN4O4S MolecularWeight: 412.89104

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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)C)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O4S/c1-6-10(22-9(4)12(18)8(3)21-22)15(24)20-16-11(17(25)26-5)7(2)13(27-16)14(19)23/h10H,6H2,1-5H3,(H2,19,23)(H,20,24)