3-cyanopropyl 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: 3-cyanopropyl 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: 3-cyanopropyl 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid 3-cyanopropyl ester Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O2S/c19-11-5-6-12-22-18(21)14-8-2-1-7-13(14)17-20-15-9-3-4-10-16(15)23-17/h1-4,7-10H,5-6,12H2