5-[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-3-methylsulfanyl-1,2-oxazole

Systemtic Name: 5-[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-3-methylsulfanyl-1,2-oxazole Openeye Name: 5-[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-3-methylsulfanyl-isoxazole CAS Name: 5-[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-3-(methylthio)isoxazole IUPAC Name: 5-[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-3-methylsulfanyl-1,2-oxazole Traditional Name: 5-[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-3-(methylthio)isoxazole Formula: C15H13NO3S MolecularWeight: 287.33362

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NOC(=C1)C=CC=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=NOC(=C1)/C=C/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H13NO3S/c1-20-15-9-12(19-16-15)5-3-2-4-11-6-7-13-14(8-11)18-10-17-13/h2-9H,10H2,1H3/b4-2+,5-3+