[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-bromanyl-phenyl] naphthalene-1-carboxylate

Systemtic Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-2-bromanyl-phenyl] naphthalene-1-carboxylate Openeye Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-bromo-phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-bromophenyl] ester IUPAC Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-bromophenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-bromo-phenyl] ester Formula: C27H15BrN2O2S MolecularWeight: 511.3892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=C(C=C(C=C3)C=C(C#N)C4=NC5=CC=CC=C5S4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=C(C=C(C=C3)/C=C(\C#N)/C4=NC5=CC=CC=C5S4)Br

InChI

InChI=1S/C27H15BrN2O2S/c28-22-15-17(14-19(16-29)26-30-23-10-3-4-11-25(23)33-26)12-13-24(22)32-27(31)21-9-5-7-18-6-1-2-8-20(18)21/h1-15H/b19-14+