methyl 2-[2-[[5-[1-[(2-chlorophenyl)carbonylamino]ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[[5-[1-[(2-chlorophenyl)carbonylamino]ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[5-[1-[(2-chlorobenzoyl)amino]ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[5-[1-[[(2-chlorophenyl)-oxomethyl]amino]ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[5-[1-[(2-chlorobenzoyl)amino]ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[[5-[1-[(2-chlorobenzoyl)amino]ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C22H22ClN5O4S MolecularWeight: 487.95918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C)SCC(=O)NC2=CC=CC=C2C(=O)OC)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C1=NN=C(N1C)SCC(=O)NC2=CC=CC=C2C(=O)OC)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H22ClN5O4S/c1-13(24-20(30)14-8-4-6-10-16(14)23)19-26-27-22(28(19)2)33-12-18(29)25-17-11-7-5-9-15(17)21(31)32-3/h4-11,13H,12H2,1-3H3,(H,24,30)(H,25,29)