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

Systemtic Name: methyl 2-[2-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[1-(1-naphthyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[1-(1-naphthalenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[1-(1-naphthyl)tetrazol-5-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H17N5O3S/c1-29-20(28)16-10-4-5-11-17(16)22-19(27)13-30-21-23-24-25-26(21)18-12-6-8-14-7-2-3-9-15(14)18/h2-12H,13H2,1H3,(H,22,27)