methyl 4-[[5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]methyl]benzoate

Systemtic Name: methyl 4-[[5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]methyl]benzoate Openeye Name: methyl 4-[[5-(4-methylsulfonyl-3-pyrrol-1-yl-2-thienyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzoate CAS Name: 4-[[5-[4-methylsulfonyl-3-(1-pyrrolyl)-2-thiophenyl]-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-methylsulfonyl-3-pyrrol-1-ylthiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]benzoate Traditional Name: 4-[[2-keto-5-(4-mesyl-3-pyrrol-1-yl-2-thienyl)-1,3,4-oxadiazol-3-yl]methyl]benzoic acid methyl ester Formula: C20H17N3O6S2 MolecularWeight: 459.49548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=O)OC(=N2)C3=C(C(=CS3)S(=O)(=O)C)N4C=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)OC(=N2)C3=C(C(=CS3)S(=O)(=O)C)N4C=CC=C4

InChI

InChI=1S/C20H17N3O6S2/c1-28-19(24)14-7-5-13(6-8-14)11-23-20(25)29-18(21-23)17-16(22-9-3-4-10-22)15(12-30-17)31(2,26)27/h3-10,12H,11H2,1-2H3