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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OC3=CC=CC(=C3)C#N

InChI

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