dimethyl 5-azanyl-3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propanoyloxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[1-oxo-3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]propoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propanoyloxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H18N4O7S MolecularWeight: 446.43382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CCC2=NC(=NO2)C3=CC=CC=N3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CCC2=NC(=NO2)C3=CC=CC=N3)C(=O)OC)N

InChI

InChI=1S/C19H18N4O7S/c1-27-18(25)14-10(15(19(26)28-2)31-16(14)20)9-29-13(24)7-6-12-22-17(23-30-12)11-5-3-4-8-21-11/h3-5,8H,6-7,9,20H2,1-2H3