ethyl (E)-3-[3-ethoxy-4-oxidanyl-5-(phenylsulfanylmethyl)phenyl]-2-methylsulfonyl-prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-ethoxy-4-oxidanyl-5-(phenylsulfanylmethyl)phenyl]-2-methylsulfonyl-prop-2-enoate Openeye Name: ethyl (E)-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]-2-methylsulfonyl-prop-2-enoate CAS Name: (E)-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-methylsulfonyl-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]-2-methylsulfonylprop-2-enoate Traditional Name: (E)-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-mesyl-acrylic acid ethyl ester Formula: C21H24O6S2 MolecularWeight: 436.54166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)C=C(C(=O)OCC)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)/C=C(\C(=O)OCC)/S(=O)(=O)C

InChI

InChI=1S/C21H24O6S2/c1-4-26-18-12-15(13-19(29(3,24)25)21(23)27-5-2)11-16(20(18)22)14-28-17-9-7-6-8-10-17/h6-13,22H,4-5,14H2,1-3H3/b19-13+