3-phenethylsulfanyl-6-(3-phenylmethoxyphenyl)pyran-2-one

Systemtic Name: 3-phenethylsulfanyl-6-(3-phenylmethoxyphenyl)pyran-2-one Openeye Name: 6-(3-benzyloxyphenyl)-3-phenethylsulfanyl-pyran-2-one CAS Name: 3-(phenethylthio)-6-(3-phenylmethoxyphenyl)-2-pyranone IUPAC Name: 3-phenethylsulfanyl-6-(3-phenylmethoxyphenyl)pyran-2-one Traditional Name: 6-(3-benzoxyphenyl)-3-(phenethylthio)pyran-2-one Formula: C26H22O3S MolecularWeight: 414.51608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=CC=C(OC2=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=CC=C(OC2=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H22O3S/c27-26-25(30-17-16-20-8-3-1-4-9-20)15-14-24(29-26)22-12-7-13-23(18-22)28-19-21-10-5-2-6-11-21/h1-15,18H,16-17,19H2