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

Systemtic Name: ethyl 4-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: ethyl 4-[[[2-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]ethyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]methyl]benzoic acid ethyl ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(O2)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(O2)C3=CC=NC=C3

InChI

InChI=1S/C19H18N4O4S/c1-2-26-18(25)15-5-3-13(4-6-15)11-21-16(24)12-28-19-23-22-17(27-19)14-7-9-20-10-8-14/h3-10H,2,11-12H2,1H3,(H,21,24)