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

Systemtic Name: methyl 2-[2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[2-(2-pyrrolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=C3C=CC=N3)O2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=C3C=CC=N3)O2

InChI

InChI=1S/C16H14N4O4S/c1-23-15(22)10-5-2-3-6-11(10)18-13(21)9-25-16-20-19-14(24-16)12-7-4-8-17-12/h2-8,19H,9H2,1H3,(H,18,21)