2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]ethanone CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]-1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]ethanone Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H19N3O4S2/c1-13-8-17(14(2)25(13)10-16-4-3-7-30-16)18(26)11-31-22-24-23-21(29-22)15-5-6-19-20(9-15)28-12-27-19/h3-9H,10-12H2,1-2H3