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

Systemtic Name: methyl 2-[2-[[1-(4-aminocarbonylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[1-(4-carbamoylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[1-(4-carbamoylphenyl)tetrazol-5-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C18H16N6O4S MolecularWeight: 412.42244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C18H16N6O4S/c1-28-17(27)13-4-2-3-5-14(13)20-15(25)10-29-18-21-22-23-24(18)12-8-6-11(7-9-12)16(19)26/h2-9H,10H2,1H3,(H2,19,26)(H,20,25)