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

Systemtic Name: ethyl 4-[2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=O)CSC2=NN=NN2C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3CCCCC3

InChI

InChI=1S/C18H23N5O3S/c1-2-26-17(25)13-8-10-14(11-9-13)19-16(24)12-27-18-20-21-22-23(18)15-6-4-3-5-7-15/h8-11,15H,2-7,12H2,1H3,(H,19,24)