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

Systemtic Name: methyl 2-[2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-tert-butyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-tert-butyltetrazol-5-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C15H19N5O3S MolecularWeight: 349.40806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C15H19N5O3S/c1-15(2,3)20-14(17-18-19-20)24-9-12(21)16-11-8-6-5-7-10(11)13(22)23-4/h5-8H,9H2,1-4H3,(H,16,21)