diethyl 2-[3-[5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]propyl]propanedioate

Systemtic Name: diethyl 2-[3-[5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]propyl]propanedioate Openeye Name: diethyl 2-[3-[5-(4-methylsulfonyl-3-pyrrol-1-yl-2-thienyl)-2-oxo-1,3,4-oxadiazol-3-yl]propyl]propanedioate CAS Name: 2-[3-[5-[4-methylsulfonyl-3-(1-pyrrolyl)-2-thiophenyl]-2-oxo-1,3,4-oxadiazol-3-yl]propyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-[5-(4-methylsulfonyl-3-pyrrol-1-ylthiophen-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]propyl]propanedioate Traditional Name: 2-[3-[2-keto-5-(4-mesyl-3-pyrrol-1-yl-2-thienyl)-1,3,4-oxadiazol-3-yl]propyl]malonic acid diethyl ester Formula: C21H25N3O8S2 MolecularWeight: 511.5685

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCN1C(=O)OC(=N1)C2=C(C(=CS2)S(=O)(=O)C)N3C=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCCN1C(=O)OC(=N1)C2=C(C(=CS2)S(=O)(=O)C)N3C=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H25N3O8S2/c1-4-30-19(25)14(20(26)31-5-2)9-8-12-24-21(27)32-18(22-24)17-16(23-10-6-7-11-23)15(13-33-17)34(3,28)29/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3