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

Systemtic Name: cyanomethyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: cyanomethyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid cyanomethyl ester Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O2S/c13-7-8-16-12(15)6-5-11-14-9-3-1-2-4-10(9)17-11/h1-4H,5-6,8H2