3-[2-cyclopropyl-1-(phenylmethylsulfanyl)ethyl]-2-oxidanyl-6-phenyl-pyran-4-one

Systemtic Name: 3-[2-cyclopropyl-1-(phenylmethylsulfanyl)ethyl]-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 3-(1-benzylsulfanyl-2-cyclopropyl-ethyl)-2-hydroxy-6-phenyl-pyran-4-one CAS Name: 3-[2-cyclopropyl-1-(phenylmethylthio)ethyl]-2-hydroxy-6-phenyl-4-pyranone IUPAC Name: 3-(1-benzylsulfanyl-2-cyclopropylethyl)-2-hydroxy-6-phenylpyran-4-one Traditional Name: 3-[1-(benzylthio)-2-cyclopropyl-ethyl]-2-hydroxy-6-phenyl-pyran-4-one Formula: C23H22O3S MolecularWeight: 378.48398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC(C2=C(OC(=CC2=O)C3=CC=CC=C3)O)SCC4=CC=CC=C4

Isomeric SMILES

C1CC1CC(C2=C(OC(=CC2=O)C3=CC=CC=C3)O)SCC4=CC=CC=C4

InChI

InChI=1S/C23H22O3S/c24-19-14-20(18-9-5-2-6-10-18)26-23(25)22(19)21(13-16-11-12-16)27-15-17-7-3-1-4-8-17/h1-10,14,16,21,25H,11-13,15H2