methyl 4-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(O2)C3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(O2)C3=CN=CC=C3

InChI

InChI=1S/C18H16N4O4S/c1-25-17(24)13-6-4-12(5-7-13)9-20-15(23)11-27-18-22-21-16(26-18)14-3-2-8-19-10-14/h2-8,10H,9,11H2,1H3,(H,20,23)