1,3-benzothiazol-2-ylmethyl 2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(5-phenyltetrazol-2-yl)acetate CAS Name: 2-(5-phenyl-2-tetrazolyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(5-phenyltetrazol-2-yl)acetate Traditional Name: 2-(5-phenyltetrazol-2-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H13N5O2S MolecularWeight: 351.38242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H13N5O2S/c23-16(24-11-15-18-13-8-4-5-9-14(13)25-15)10-22-20-17(19-21-22)12-6-2-1-3-7-12/h1-9H,10-11H2