3,3-dimethyl-7-methylsulfanyl-2,4-dihydro-1-benzoxepin-5-one

Systemtic Name: 3,3-dimethyl-7-methylsulfanyl-2,4-dihydro-1-benzoxepin-5-one Openeye Name: 3,3-dimethyl-7-methylsulfanyl-2,4-dihydro-1-benzoxepin-5-one CAS Name: 3,3-dimethyl-7-(methylthio)-2,4-dihydro-1-benzoxepin-5-one IUPAC Name: 3,3-dimethyl-7-methylsulfanyl-2,4-dihydro-1-benzoxepin-5-one Traditional Name: 3,3-dimethyl-7-(methylthio)-2,4-dihydro-1-benzoxepin-5-one Formula: C13H16O2S MolecularWeight: 236.32994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(C=CC(=C2)SC)OC1)C

Isomeric SMILES

CC1(CC(=O)C2=C(C=CC(=C2)SC)OC1)C

InChI

InChI=1S/C13H16O2S/c1-13(2)7-11(14)10-6-9(16-3)4-5-12(10)15-8-13/h4-6H,7-8H2,1-3H3