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

Systemtic Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-bromanyl-6-ethoxy-phenyl] benzoate Openeye Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-bromo-6-ethoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-bromo-6-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-bromo-6-ethoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-bromo-6-ethoxy-phenyl] ester Formula: C25H17BrN2O3S MolecularWeight: 505.38308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)Br)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)Br)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H17BrN2O3S/c1-2-30-21-14-16(12-18(15-27)24-28-20-10-6-7-11-22(20)32-24)13-19(26)23(21)31-25(29)17-8-4-3-5-9-17/h3-14H,2H2,1H3/b18-12+