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

Systemtic Name: dimethyl 5-azanyl-3-[(3-phenyl-1H-pyrazol-5-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(3-phenyl-1H-pyrazole-5-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[oxo-(3-phenyl-1H-pyrazol-5-yl)methoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(3-phenyl-1H-pyrazole-5-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(3-phenyl-1H-pyrazole-5-carbonyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O6S/c1-26-18(24)14-11(15(19(25)27-2)29-16(14)20)9-28-17(23)13-8-12(21-22-13)10-6-4-3-5-7-10/h3-8H,9,20H2,1-2H3,(H,21,22)