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

Systemtic Name: 3,3-dimethyl-7-phenylsulfanyl-2,4-dihydro-1-benzoxepin-5-one Openeye Name: 3,3-dimethyl-7-phenylsulfanyl-2,4-dihydro-1-benzoxepin-5-one CAS Name: 3,3-dimethyl-7-(phenylthio)-2,4-dihydro-1-benzoxepin-5-one IUPAC Name: 3,3-dimethyl-7-phenylsulfanyl-2,4-dihydro-1-benzoxepin-5-one Traditional Name: 3,3-dimethyl-7-(phenylthio)-2,4-dihydro-1-benzoxepin-5-one Formula: C18H18O2S MolecularWeight: 298.39932

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(C=CC(=C2)SC3=CC=CC=C3)OC1)C

Isomeric SMILES

CC1(CC(=O)C2=C(C=CC(=C2)SC3=CC=CC=C3)OC1)C

InChI

InChI=1S/C18H18O2S/c1-18(2)11-16(19)15-10-14(8-9-17(15)20-12-18)21-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3