ethyl 4-[2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[5-(phenoxymethyl)-2-thioxo-1,3,4-oxadiazol-3-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[5-(phenoxymethyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[5-(phenoxymethyl)-2-thioxo-1,3,4-oxadiazol-3-yl]acetyl]amino]benzoic acid ethyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=S)OC(=N2)COC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=S)OC(=N2)COC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O5S/c1-2-26-19(25)14-8-10-15(11-9-14)21-17(24)12-23-20(29)28-18(22-23)13-27-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H,21,24)