[7-(4-methoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [7-(4-methoxyphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] (E)-3-phenylprop-2-enoate Openeye Name: [7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [2-keto-7-(4-methoxyphenyl)-1,3-benzoxathiol-5-yl] ester Formula: C23H16O5S MolecularWeight: 404.43514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H16O5S/c1-26-17-10-8-16(9-11-17)19-13-18(14-20-22(19)28-23(25)29-20)27-21(24)12-7-15-5-3-2-4-6-15/h2-14H,1H3/b12-7+