[7-(4-bromophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] (E)-2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: [7-(4-bromophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] (E)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: [7-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] (E)-2-cyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid [7-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] (E)-2-cyano-3-phenylprop-2-enoate Traditional Name: (E)-2-cyano-3-phenyl-acrylic acid [7-(4-bromophenyl)-2-keto-1,3-benzoxathiol-5-yl] ester Formula: C23H12BrNO4S MolecularWeight: 478.31468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(C#N)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Br)OC(=O)S3

Isomeric SMILES

C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Br)OC(=O)S3

InChI

InChI=1S/C23H12BrNO4S/c24-17-8-6-15(7-9-17)19-11-18(12-20-21(19)29-23(27)30-20)28-22(26)16(13-25)10-14-4-2-1-3-5-14/h1-12H/b16-10+