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

Systemtic Name: ethyl 4-[2-[[1-(3-ethanoylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(3-acetylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(3-acetylphenyl)tetrazol-5-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C20H19N5O4S/c1-3-29-19(28)14-7-9-16(10-8-14)21-18(27)12-30-20-22-23-24-25(20)17-6-4-5-15(11-17)13(2)26/h4-11H,3,12H2,1-2H3,(H,21,27)