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

Systemtic Name: methyl 4-[2-[[1-(3-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[1-(3-chlorophenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[1-(3-chlorophenyl)tetrazol-5-yl]thio]acetyl]amino]butyric acid methyl ester Formula: C14H16ClN5O3S MolecularWeight: 369.82654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN5O3S/c1-23-13(22)6-3-7-16-12(21)9-24-14-17-18-19-20(14)11-5-2-4-10(15)8-11/h2,4-5,8H,3,6-7,9H2,1H3,(H,16,21)