methyl 4-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylcarbamoyl]benzoate

Systemtic Name: methyl 4-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylcarbamoyl]benzoate Openeye Name: methyl 4-[5-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]pentylcarbamoyl]benzoate CAS Name: 4-[oxo-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylcarbamoyl]benzoate Traditional Name: 4-[5-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]pentylcarbamoyl]benzoic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCCCCC2=NC(=NO2)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCCCCC2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C20H21N3O4S/c1-26-20(25)15-10-8-14(9-11-15)19(24)21-12-4-2-3-7-17-22-18(23-27-17)16-6-5-13-28-16/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,21,24)