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

Systemtic Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-bromanyl-6-ethoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-bromo-6-ethoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-bromo-6-ethoxy-phenyl] ester Formula: C26H19BrN2O4S MolecularWeight: 535.40906

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H19BrN2O4S/c1-3-32-22-14-16(12-18(15-28)25-29-21-6-4-5-7-23(21)34-25)13-20(27)24(22)33-26(30)17-8-10-19(31-2)11-9-17/h4-14H,3H2,1-2H3/b18-12+