[1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: [1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: [2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate CAS Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [1-(2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [2-keto-1-methyl-2-(o-anisidino)ethyl] ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3OC)SC

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3OC)SC

InChI

InChI=1S/C21H22N4O4S/c1-13(19(26)22-17-7-5-6-8-18(17)28-3)29-20(27)15-9-11-16(12-10-15)25-14(2)23-24-21(25)30-4/h5-13H,1-4H3,(H,22,26)