methyl 4-[5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: methyl 4-[5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: methyl 4-[5-(2-ethoxy-2-oxo-ethyl)sulfanyltetrazol-1-yl]benzoate CAS Name: 4-[5-[(2-ethoxy-2-oxoethyl)thio]-1-tetrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(2-ethoxy-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate Traditional Name: 4-[5-[(2-ethoxy-2-keto-ethyl)thio]tetrazol-1-yl]benzoic acid methyl ester Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=NN1C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC(=O)CSC1=NN=NN1C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C13H14N4O4S/c1-3-21-11(18)8-22-13-14-15-16-17(13)10-6-4-9(5-7-10)12(19)20-2/h4-7H,3,8H2,1-2H3