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

Systemtic Name: methyl 3-[2-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(1-isopropyltetrazol-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(1-propan-2-yl-5-tetrazolyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(1-isopropyltetrazol-5-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC(C)N1C(=NN=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C14H17N5O3S/c1-9(2)19-14(16-17-18-19)23-8-12(20)15-11-6-4-5-10(7-11)13(21)22-3/h4-7,9H,8H2,1-3H3,(H,15,20)