3-[(E)-4-[2-[(4-fluorophenyl)methyl]phenyl]but-3-enoyl]-3-sulfanyl-oxan-2-one

Systemtic Name: 3-[(E)-4-[2-[(4-fluorophenyl)methyl]phenyl]but-3-enoyl]-3-sulfanyl-oxan-2-one Openeye Name: 3-[(E)-4-[2-[(4-fluorophenyl)methyl]phenyl]but-3-enoyl]-3-sulfanyl-tetrahydropyran-2-one CAS Name: 3-[(E)-4-[2-[(4-fluorophenyl)methyl]phenyl]-1-oxobut-3-enyl]-3-mercapto-2-oxanone IUPAC Name: 3-[(E)-4-[2-[(4-fluorophenyl)methyl]phenyl]but-3-enoyl]-3-sulfanyloxan-2-one Traditional Name: 3-[(E)-4-[2-(4-fluorobenzyl)phenyl]but-3-enoyl]-3-mercapto-tetrahydropyran-2-one Formula: C22H21FO3S MolecularWeight: 384.463743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)OC1)(C(=O)CC=CC2=CC=CC=C2CC3=CC=C(C=C3)F)S

Isomeric SMILES

C1CC(C(=O)OC1)(C(=O)C/C=C/C2=CC=CC=C2CC3=CC=C(C=C3)F)S

InChI

InChI=1S/C22H21FO3S/c23-19-11-9-16(10-12-19)15-18-6-2-1-5-17(18)7-3-8-20(24)22(27)13-4-14-26-21(22)25/h1-3,5-7,9-12,27H,4,8,13-15H2/b7-3+