[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-iodanyl-6-methoxy-phenyl] benzoate

Systemtic Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-iodanyl-6-methoxy-phenyl] benzoate Openeye Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-iodo-6-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-iodo-6-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-iodo-6-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-iodo-6-methoxy-phenyl] ester Formula: C24H15IN2O3S MolecularWeight: 538.35697

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)I)OC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)I)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H15IN2O3S/c1-29-20-13-15(11-17(14-26)23-27-19-9-5-6-10-21(19)31-23)12-18(25)22(20)30-24(28)16-7-3-2-4-8-16/h2-13H,1H3/b17-11+