O2-methyl O4-propyl 5-[2-(4-chloranylpyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-methyl O4-propyl 5-[2-(4-chloranylpyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-methyl O4-propyl 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 O2-methyl ester O4-propyl ester IUPAC Name: 2-O-methyl 4-O-propyl 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 O2-methyl ester O4-propyl ester Formula: C18H22ClN3O5S MolecularWeight: 427.90238

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C(CC)N2C=C(C=N2)Cl

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C(CC)N2C=C(C=N2)Cl

InChI

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