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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-(1,3-benzoxazol-2-ylthio)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(1,3-benzoxazol-2-ylthio)ethanone Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H18N2O4S/c1-13-9-16(14(2)24(13)15-7-8-20-21(10-15)27-12-26-20)18(25)11-29-22-23-17-5-3-4-6-19(17)28-22/h3-10H,11-12H2,1-2H3