4-bromanyl-5-ethylsulfanyl-5-(phenylmethyl)furan-2-one

Systemtic Name: 4-bromanyl-5-ethylsulfanyl-5-(phenylmethyl)furan-2-one Openeye Name: 5-benzyl-4-bromo-5-ethylsulfanyl-furan-2-one CAS Name: 4-bromo-5-(ethylthio)-5-(phenylmethyl)-2-furanone IUPAC Name: 5-benzyl-4-bromo-5-ethylsulfanylfuran-2-one Traditional Name: 5-benzyl-4-bromo-5-(ethylthio)furan-2-one Formula: C13H13BrO2S MolecularWeight: 313.21012

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1(C(=CC(=O)O1)Br)CC2=CC=CC=C2

Isomeric SMILES

CCSC1(C(=CC(=O)O1)Br)CC2=CC=CC=C2

InChI

InChI=1S/C13H13BrO2S/c1-2-17-13(11(14)8-12(15)16-13)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3