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

Systemtic Name: methyl 3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoate Openeye Name: methyl 3-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate CAS Name: 3-[[1-oxo-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzoate Traditional Name: 3-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-24-18(23)12-5-2-6-13(11-12)19-15(22)8-3-9-16-20-17(21-25-16)14-7-4-10-26-14/h2,4-7,10-11H,3,8-9H2,1H3,(H,19,22)