2-methoxy-5-[[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[1-oxo-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]methyl]benzoic acid Formula: C23H20N4O4S2 MolecularWeight: 480.5593

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C23H20N4O4S2/c1-31-18-10-9-15(12-17(18)22(29)30)13-24-20(28)14-33-23-26-25-21(19-8-5-11-32-19)27(23)16-6-3-2-4-7-16/h2-12H,13-14H2,1H3,(H,24,28)(H,29,30)