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

Systemtic Name: methyl 4-[2-[(1-ethyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-ethyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-ethyltetrazol-5-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCN1C(=NN=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C13H15N5O3S/c1-3-18-13(15-16-17-18)22-8-11(19)14-10-6-4-9(5-7-10)12(20)21-2/h4-7H,3,8H2,1-2H3,(H,14,19)