4-chloranyl-3-[2-[[5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[[5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[[5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid Formula: C22H23ClN4O5S MolecularWeight: 490.95982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C22H23ClN4O5S/c1-4-31-18-9-13(2)5-8-17(18)32-11-19-25-26-22(27(19)3)33-12-20(28)24-16-10-14(21(29)30)6-7-15(16)23/h5-10H,4,11-12H2,1-3H3,(H,24,28)(H,29,30)