methyl 4-[(E)-2-(5-methylsulfanyl-2-phenylmethoxy-phenyl)ethenyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 4-[(E)-2-(5-methylsulfanyl-2-phenylmethoxy-phenyl)ethenyl]-2-oxidanyl-benzoate Openeye Name: methyl 4-[(E)-2-(2-benzyloxy-5-methylsulfanyl-phenyl)vinyl]-2-hydroxy-benzoate CAS Name: 2-hydroxy-4-[(E)-2-[5-(methylthio)-2-phenylmethoxyphenyl]ethenyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-4-[(E)-2-(5-methylsulfanyl-2-phenylmethoxyphenyl)ethenyl]benzoate Traditional Name: 4-[(E)-2-[2-benzoxy-5-(methylthio)phenyl]vinyl]-2-hydroxy-benzoic acid methyl ester Formula: C24H22O4S MolecularWeight: 406.49408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)C=CC2=C(C=CC(=C2)SC)OCC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)/C=C/C2=C(C=CC(=C2)SC)OCC3=CC=CC=C3)O

InChI

InChI=1S/C24H22O4S/c1-27-24(26)21-12-9-17(14-22(21)25)8-10-19-15-20(29-2)11-13-23(19)28-16-18-6-4-3-5-7-18/h3-15,25H,16H2,1-2H3/b10-8+