[2-(1,3-benzothiazol-2-yl)phenyl] 3-cyanobenzoate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)phenyl] 3-cyanobenzoate Openeye Name: [2-(1,3-benzothiazol-2-yl)phenyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)phenyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester Formula: C21H12N2O2S MolecularWeight: 356.39718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H12N2O2S/c22-13-14-6-5-7-15(12-14)21(24)25-18-10-3-1-8-16(18)20-23-17-9-2-4-11-19(17)26-20/h1-12H