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

Systemtic Name: [3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]phenyl] naphthalene-1-carboxylate Openeye Name: [3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] ester IUPAC Name: [3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenyl] ester Formula: C27H16N2O2S MolecularWeight: 432.49314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H16N2O2S/c28-17-20(26-29-24-13-3-4-14-25(24)32-26)15-18-7-5-10-21(16-18)31-27(30)23-12-6-9-19-8-1-2-11-22(19)23/h1-16H/b20-15+