methyl 2-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]furan-2-yl]-5-bromanyl-benzoate

Systemtic Name: methyl 2-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]furan-2-yl]-5-bromanyl-benzoate Openeye Name: methyl 2-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-furyl]-5-bromo-benzoate CAS Name: 2-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-furanyl]-5-bromobenzoic acid methyl ester IUPAC Name: methyl 2-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]-5-bromobenzoate Traditional Name: 2-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-furyl]-5-bromo-benzoic acid methyl ester Formula: C22H13BrN2O3S MolecularWeight: 465.31922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)C2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H13BrN2O3S/c1-27-22(26)17-11-14(23)6-8-16(17)19-9-7-15(28-19)10-13(12-24)21-25-18-4-2-3-5-20(18)29-21/h2-11H,1H3/b13-10+