1,3-benzothiazol-2-ylmethyl 4-cyanobenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-cyanobenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H10N2O2S MolecularWeight: 294.3278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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