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

Systemtic Name: methyl 3-methyl-2-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]pentanoate Openeye Name: methyl 3-methyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]pentanoate CAS Name: 3-methyl-2-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]pentanoate Traditional Name: 3-methyl-2-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]valeric acid methyl ester Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C16H21N5O3S/c1-4-11(2)14(15(23)24-3)17-13(22)10-25-16-18-19-20-21(16)12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3,(H,17,22)