methyl (E)-4-phenyl-2-(phenylmethylsulfanyl)but-3-enoate

Systemtic Name: methyl (E)-4-phenyl-2-(phenylmethylsulfanyl)but-3-enoate Openeye Name: methyl (E)-2-benzylsulfanyl-4-phenyl-but-3-enoate CAS Name: (E)-4-phenyl-2-(phenylmethylthio)-3-butenoic acid methyl ester IUPAC Name: methyl (E)-2-benzylsulfanyl-4-phenylbut-3-enoate Traditional Name: (E)-2-(benzylthio)-4-phenyl-but-3-enoic acid methyl ester Formula: C18H18O2S MolecularWeight: 298.39932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C=CC1=CC=CC=C1)SCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(/C=C/C1=CC=CC=C1)SCC2=CC=CC=C2

InChI

InChI=1S/C18H18O2S/c1-20-18(19)17(13-12-15-8-4-2-5-9-15)21-14-16-10-6-3-7-11-16/h2-13,17H,14H2,1H3/b13-12+