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

Systemtic Name: [2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]phenyl] naphthalene-1-carboxylate Openeye Name: [2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] ester IUPAC Name: [2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2-[(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=C3C=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(26-29-23-13-4-6-15-25(23)32-26)16-19-9-2-5-14-24(19)31-27(30)22-12-7-10-18-8-1-3-11-21(18)22/h1-16H/b20-16+