[7-(4-bromophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [7-(4-bromophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [7-(4-bromophenyl)-2-thioxo-1,3-benzoxathiol-5-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid [7-(4-bromophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-bromophenyl)-2-sulfanylidene-1,3-benzoxathiol-5-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxyphenyl)acrylic acid [7-(4-bromophenyl)-2-thioxo-1,3-benzoxathiol-5-yl] ester Formula: C23H15BrO4S2 MolecularWeight: 499.3968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Br)OC(=S)S3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Br)OC(=S)S3

InChI

InChI=1S/C23H15BrO4S2/c1-26-17-9-2-14(3-10-17)4-11-21(25)27-18-12-19(15-5-7-16(24)8-6-15)22-20(13-18)30-23(29)28-22/h2-13H,1H3/b11-4+