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

Systemtic Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-bromanyl-6-ethoxy-phenyl] ethanoate Openeye Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-bromo-6-ethoxy-phenyl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-bromo-6-ethoxy-phenyl] ester Formula: C20H15BrN2O3S MolecularWeight: 443.3137

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN2O3S/c1-3-25-17-10-13(9-15(21)19(17)26-12(2)24)8-14(11-22)20-23-16-6-4-5-7-18(16)27-20/h4-10H,3H2,1-2H3/b14-8+