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

Systemtic Name: methyl 4-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]butyric acid methyl ester Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C14H17N5O3S/c1-22-13(21)8-5-9-15-12(20)10-23-14-16-17-18-19(14)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,15,20)