methyl (E)-3-methylsulfanyl-2-[2-[(3-oxidanylphenoxy)methyl]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-methylsulfanyl-2-[2-[(3-oxidanylphenoxy)methyl]phenyl]prop-2-enoate Openeye Name: methyl (E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-[2-[(3-hydroxyphenoxy)methyl]phenyl]-3-(methylthio)acrylic acid methyl ester Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CSC)C1=CC=CC=C1COC2=CC=CC(=C2)O

Isomeric SMILES

COC(=O)/C(=C/SC)/C1=CC=CC=C1COC2=CC=CC(=C2)O

InChI

InChI=1S/C18H18O4S/c1-21-18(20)17(12-23-2)16-9-4-3-6-13(16)11-22-15-8-5-7-14(19)10-15/h3-10,12,19H,11H2,1-2H3/b17-12+