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

Systemtic Name: methyl 3-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanylmethyl]benzoate CAS Name: 3-[[[2-(2-pyrrolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)thio]methyl]benzoic acid methyl ester Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O3S/c1-20-14(19)11-5-2-4-10(8-11)9-22-15-18-17-13(21-15)12-6-3-7-16-12/h2-8,17H,9H2,1H3