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

Systemtic Name: dimethyl 5-azanyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[1-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H19N3O7S MolecularWeight: 445.44576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O7S/c1-27-19(25)15-12(16(20(26)28-2)31-17(15)21)10-29-14(24)9-8-13-22-18(23-30-13)11-6-4-3-5-7-11/h3-7H,8-10,21H2,1-2H3