dimethyl 5-azanyl-3-[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H16ClN3O6S MolecularWeight: 449.86484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl)C(=O)OC)N

InChI

InChI=1S/C19H16ClN3O6S/c1-27-18(25)14-11(15(19(26)28-2)30-16(14)21)8-29-17(24)13-7-12(22-23-13)9-3-5-10(20)6-4-9/h3-7H,8,21H2,1-2H3,(H,22,23)