diethyl 5-[2-(4-chloranylpyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(4-chloranylpyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-(4-chloropyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-chloro-1-pyrazolyl)-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-(4-chloropyrazol-1-yl)butanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(4-chloropyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H22ClN3O5S MolecularWeight: 427.90238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC)N2C=C(C=N2)Cl

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC)N2C=C(C=N2)Cl

InChI

InChI=1S/C18H22ClN3O5S/c1-5-12(22-9-11(19)8-20-22)15(23)21-16-13(17(24)26-6-2)10(4)14(28-16)18(25)27-7-3/h8-9,12H,5-7H2,1-4H3,(H,21,23)