1,3-benzothiazol-2-ylmethyl 3-cyanobenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-cyanobenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H10N2O2S MolecularWeight: 294.3278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N2O2S/c17-9-11-4-3-5-12(8-11)16(19)20-10-15-18-13-6-1-2-7-14(13)21-15/h1-8H,10H2