3-[2-[4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]carbonyloxybutanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]carbonyloxybutanoylamino]benzoic acid Openeye Name: 3-[2-[4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoyl]oxybutanoylamino]benzoic acid CAS Name: 3-[[2-[[4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]phenyl]-oxomethoxy]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-[4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoyl]oxybutanoylamino]benzoic acid Traditional Name: 3-[2-[4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoyl]oxybutanoylamino]benzoic acid Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)OC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)OC(=O)C2=CC=C(C=C2)N3C(=NN=C3SC)C

InChI

InChI=1S/C22H22N4O5S/c1-4-18(19(27)23-16-7-5-6-15(12-16)20(28)29)31-21(30)14-8-10-17(11-9-14)26-13(2)24-25-22(26)32-3/h5-12,18H,4H2,1-3H3,(H,23,27)(H,28,29)