propan-2-yl 4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoate Openeye Name: isopropyl 4-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate CAS Name: 4-[[1-oxo-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoate Traditional Name: 4-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid isopropyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-13(2)26-20(25)14-8-10-15(11-9-14)21-17(24)6-3-7-18-22-19(23-27-18)16-5-4-12-28-16/h4-5,8-13H,3,6-7H2,1-2H3,(H,21,24)