3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-1,3,4-oxadiazol-2-one

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-5-(4-methylsulfonyl-3-pyrrol-1-yl-thiophen-2-yl)-1,3,4-oxadiazol-2-one Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-5-(4-methylsulfonyl-3-pyrrol-1-yl-2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-[4-methylsulfonyl-3-(1-pyrrolyl)-2-thiophenyl]-1,3,4-oxadiazol-2-one IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(4-methylsulfonyl-3-pyrrol-1-ylthiophen-2-yl)-1,3,4-oxadiazol-2-one Traditional Name: 3-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-5-(4-mesyl-3-pyrrol-1-yl-2-thienyl)-1,3,4-oxadiazol-2-one Formula: C20H15N3O7S2 MolecularWeight: 473.479

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CSC(=C1N2C=CC=C2)C3=NN(C(=O)O3)CC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CS(=O)(=O)C1=CSC(=C1N2C=CC=C2)C3=NN(C(=O)O3)CC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H15N3O7S2/c1-32(26,27)16-10-31-18(17(16)22-6-2-3-7-22)19-21-23(20(25)30-19)9-13(24)12-4-5-14-15(8-12)29-11-28-14/h2-8,10H,9,11H2,1H3