(E)-3-(1,3-benzodioxol-5-yl)-4-phenylsulfanyl-but-3-en-2-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-4-phenylsulfanyl-but-3-en-2-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-4-phenylsulfanyl-but-3-en-2-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-4-(phenylthio)-3-buten-2-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-4-phenylsulfanylbut-3-en-2-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-4-(phenylthio)but-3-en-2-one Formula: C17H14O3S MolecularWeight: 298.35626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CSC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)/C(=C/SC1=CC=CC=C1)/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H14O3S/c1-12(18)15(10-21-14-5-3-2-4-6-14)13-7-8-16-17(9-13)20-11-19-16/h2-10H,11H2,1H3/b15-10-