ethyl 6-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]hexanoate

Systemtic Name: ethyl 6-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]hexanoate Openeye Name: ethyl 6-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]hexanoate CAS Name: 6-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]hexanoate Traditional Name: 6-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]hexanoic acid ethyl ester Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCNC(=O)CSC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCCCNC(=O)CSC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C17H23N5O3S/c1-2-25-16(24)11-7-4-8-12-18-15(23)13-26-17-19-20-21-22(17)14-9-5-3-6-10-14/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,18,23)