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

Systemtic Name: methyl 2-[2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-cyclohexyltetrazol-5-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H21N5O3S MolecularWeight: 375.44534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O3S/c1-25-16(24)13-9-5-6-10-14(13)18-15(23)11-26-17-19-20-21-22(17)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,23)