[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-bromanyl-phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-bromanyl-phenyl] 4-methoxybenzenesulfonate Openeye Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-bromo-phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-bromophenyl] ester IUPAC Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-bromophenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-bromo-phenyl] ester Formula: C23H15BrN2O4S2 MolecularWeight: 527.4102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C23H15BrN2O4S2/c1-29-17-7-9-18(10-8-17)32(27,28)30-21-11-6-15(13-19(21)24)12-16(14-25)23-26-20-4-2-3-5-22(20)31-23/h2-13H,1H3/b16-12+