[2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-cyanobenzoate

Systemtic Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-cyanobenzoate Openeye Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(dimethylamino)-1,3-benzothiazol-6-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(dimethylamino)-1,3-benzothiazol-6-yl] ester Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(C)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H13N3O2S/c1-20(2)17-19-14-8-7-13(9-15(14)23-17)22-16(21)12-5-3-11(10-18)4-6-12/h3-9H,1-2H3