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

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[2-(4-chloranylpyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl 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(C)C)N2C=C(C=N2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O4S/c1-5-11(22-7-10(18)6-20-22)15(24)21-16-12(17(25)26-8(2)3)9(4)13(27-16)14(19)23/h6-8,11H,5H2,1-4H3,(H2,19,23)(H,21,24)