(2-cyanophenyl) 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (2-cyanophenyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (2-cyanophenyl) 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (2-cyanophenyl) ester Formula: C17H12N2O2S MolecularWeight: 308.35438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)OC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H12N2O2S/c18-11-12-5-1-3-7-14(12)21-17(20)10-9-16-19-13-6-2-4-8-15(13)22-16/h1-8H,9-10H2