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

Systemtic Name: methyl 4-[[3-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-[2-keto-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]propanoylamino]methyl]benzoic acid methyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCN2C(=O)OC(=N2)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCN2C(=O)OC(=N2)C3=CC=CS3

InChI

InChI=1S/C18H17N3O5S/c1-25-17(23)13-6-4-12(5-7-13)11-19-15(22)8-9-21-18(24)26-16(20-21)14-3-2-10-27-14/h2-7,10H,8-9,11H2,1H3,(H,19,22)