methyl (E)-3-oxidanyl-2-[2-(phenylmethylsulfanyl)phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-oxidanyl-2-[2-(phenylmethylsulfanyl)phenyl]prop-2-enoate Openeye Name: methyl (E)-2-(2-benzylsulfanylphenyl)-3-hydroxy-prop-2-enoate CAS Name: (E)-3-hydroxy-2-[2-(phenylmethylthio)phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-(2-benzylsulfanylphenyl)-3-hydroxyprop-2-enoate Traditional Name: (E)-2-[2-(benzylthio)phenyl]-3-hydroxy-acrylic acid methyl ester Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CO)C1=CC=CC=C1SCC2=CC=CC=C2

Isomeric SMILES

COC(=O)/C(=C/O)/C1=CC=CC=C1SCC2=CC=CC=C2

InChI

InChI=1S/C17H16O3S/c1-20-17(19)15(11-18)14-9-5-6-10-16(14)21-12-13-7-3-2-4-8-13/h2-11,18H,12H2,1H3/b15-11+