1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(1,3-benzoxazol-2-ylthio)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)ethanone Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H20N2O4S/c1-14-9-17(19(26)12-30-23-24-18-5-3-4-6-20(18)29-23)15(2)25(14)11-16-7-8-21-22(10-16)28-13-27-21/h3-10H,11-13H2,1-2H3