1,3-benzothiazol-2-ylmethyl 2-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(tetrazol-1-yl)benzoate CAS Name: 2-(1-tetrazolyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(tetrazol-1-yl)benzoate Traditional Name: 2-(tetrazol-1-yl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H11N5O2S MolecularWeight: 337.35584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3S2)N4C=NN=N4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3S2)N4C=NN=N4

InChI

InChI=1S/C16H11N5O2S/c22-16(11-5-1-3-7-13(11)21-10-17-19-20-21)23-9-15-18-12-6-2-4-8-14(12)24-15/h1-8,10H,9H2