dimethyl 5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CCCC2=NC(=NO2)C3=CC=CS3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CCCC2=NC(=NO2)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C20H19N3O6S/c1-27-19(25)12-9-13(20(26)28-2)11-14(10-12)21-16(24)6-3-7-17-22-18(23-29-17)15-5-4-8-30-15/h4-5,8-11H,3,6-7H2,1-2H3,(H,21,24)