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

Systemtic Name: ethyl (E)-3-[3-[(4-tert-butylphenyl)sulfanylmethyl]-5-ethoxy-4-oxidanyl-phenyl]-2-methylsulfonyl-prop-2-enoate Openeye Name: ethyl (E)-3-[3-[(4-tert-butylphenyl)sulfanylmethyl]-5-ethoxy-4-hydroxy-phenyl]-2-methylsulfonyl-prop-2-enoate CAS Name: (E)-3-[3-[[(4-tert-butylphenyl)thio]methyl]-5-ethoxy-4-hydroxyphenyl]-2-methylsulfonyl-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-[(4-tert-butylphenyl)sulfanylmethyl]-5-ethoxy-4-hydroxyphenyl]-2-methylsulfonylprop-2-enoate Traditional Name: (E)-3-[3-[[(4-tert-butylphenyl)thio]methyl]-5-ethoxy-4-hydroxy-phenyl]-2-mesyl-acrylic acid ethyl ester Formula: C25H32O6S2 MolecularWeight: 492.64798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32O6S2/c1-7-30-21-14-17(15-22(33(6,28)29)24(27)31-8-2)13-18(23(21)26)16-32-20-11-9-19(10-12-20)25(3,4)5/h9-15,26H,7-8,16H2,1-6H3/b22-15+