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

Systemtic Name: ethyl 2-[2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-cyclohexyltetrazol-5-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=NN2C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=NN2C3CCCCC3

InChI

InChI=1S/C18H23N5O3S/c1-2-26-17(25)14-10-6-7-11-15(14)19-16(24)12-27-18-20-21-22-23(18)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,24)