methyl 2-[5-(5-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrazol-2-yl]ethanoate

Systemtic Name: methyl 2-[5-(5-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrazol-2-yl]ethanoate Openeye Name: methyl 2-[5-(5-methoxy-1,3-benzothiazol-2-yl)tetrazol-2-yl]acetate CAS Name: 2-[5-(5-methoxy-1,3-benzothiazol-2-yl)-2-tetrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(5-methoxy-1,3-benzothiazol-2-yl)tetrazol-2-yl]acetate Traditional Name: 2-[5-(5-methoxy-1,3-benzothiazol-2-yl)tetrazol-2-yl]acetic acid methyl ester Formula: C12H11N5O3S MolecularWeight: 305.31244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)C3=NN(N=N3)CC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)C3=NN(N=N3)CC(=O)OC

InChI

InChI=1S/C12H11N5O3S/c1-19-7-3-4-9-8(5-7)13-12(21-9)11-14-16-17(15-11)6-10(18)20-2/h3-5H,6H2,1-2H3