4-methyl-5-phenylsulfanyl-3,6-dihydro-2H-oxepin-7-one

Systemtic Name: 4-methyl-5-phenylsulfanyl-3,6-dihydro-2H-oxepin-7-one Openeye Name: 4-methyl-5-phenylsulfanyl-3,6-dihydro-2H-oxepin-7-one CAS Name: 4-methyl-5-(phenylthio)-3,6-dihydro-2H-oxepin-7-one IUPAC Name: 4-methyl-5-phenylsulfanyl-3,6-dihydro-2H-oxepin-7-one Traditional Name: 4-methyl-5-(phenylthio)-3,6-dihydro-2H-oxepin-7-one Formula: C13H14O2S MolecularWeight: 234.31406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=O)OCC1)SC2=CC=CC=C2

Isomeric SMILES

CC1=C(CC(=O)OCC1)SC2=CC=CC=C2

InChI

InChI=1S/C13H14O2S/c1-10-7-8-15-13(14)9-12(10)16-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3