S-phenyl (E)-2-methyl-5-phenyl-pent-3-enethioate

Systemtic Name: S-phenyl (E)-2-methyl-5-phenyl-pent-3-enethioate Openeye Name: S-phenyl (E)-2-methyl-5-phenyl-pent-3-enethioate CAS Name: (E)-2-methyl-5-phenyl-3-pentenethioic acid S-phenyl ester IUPAC Name: S-phenyl (E)-2-methyl-5-phenylpent-3-enethioate Traditional Name: (E)-2-methyl-5-phenyl-pent-3-enethioic acid S-phenyl ester Formula: C18H18OS MolecularWeight: 282.39992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CCC1=CC=CC=C1)C(=O)SC2=CC=CC=C2

Isomeric SMILES

CC(/C=C/CC1=CC=CC=C1)C(=O)SC2=CC=CC=C2

InChI

InChI=1S/C18H18OS/c1-15(9-8-12-16-10-4-2-5-11-16)18(19)20-17-13-6-3-7-14-17/h2-11,13-15H,12H2,1H3/b9-8+