O-[4-[(E)-3-(2,3-dimethoxy-6-oxidanyl-4-phenylmethoxy-phenyl)prop-2-enoyl]phenyl] methanethioate

Systemtic Name: O-[4-[(E)-3-(2,3-dimethoxy-6-oxidanyl-4-phenylmethoxy-phenyl)prop-2-enoyl]phenyl] methanethioate Openeye Name: O-[4-[(E)-3-(4-benzyloxy-6-hydroxy-2,3-dimethoxy-phenyl)prop-2-enoyl]phenyl] methanethioate CAS Name: methanethioic acid O-[4-[(E)-3-(6-hydroxy-2,3-dimethoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: O-[4-[(E)-3-(6-hydroxy-2,3-dimethoxy-4-phenylmethoxyphenyl)prop-2-enoyl]phenyl] methanethioate Traditional Name: methanethioic acid O-[4-[(E)-3-(4-benzoxy-6-hydroxy-2,3-dimethoxy-phenyl)acryloyl]phenyl] ester Formula: C25H22O6S MolecularWeight: 450.50358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1OC)C=CC(=O)C2=CC=C(C=C2)OC=S)O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1OC)/C=C/C(=O)C2=CC=C(C=C2)OC=S)O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H22O6S/c1-28-24-20(12-13-21(26)18-8-10-19(11-9-18)31-16-32)22(27)14-23(25(24)29-2)30-15-17-6-4-3-5-7-17/h3-14,16,27H,15H2,1-2H3/b13-12+