methyl 4-[(E)-3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-(5-methylsulfanyl-2-phenylmethoxy-phenyl)prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(2-benzyloxy-5-methylsulfanyl-phenyl)prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[5-(methylthio)-2-phenylmethoxyphenyl]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(5-methylsulfanyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[2-benzoxy-5-(methylthio)phenyl]prop-1-enyl]benzoic acid methyl ester Formula: C25H24O3S MolecularWeight: 404.52126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CCC2=C(C=CC(=C2)SC)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H24O3S/c1-27-25(26)21-13-11-19(12-14-21)9-6-10-22-17-23(29-2)15-16-24(22)28-18-20-7-4-3-5-8-20/h3-9,11-17H,10,18H2,1-2H3/b9-6+