3-[3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid

Systemtic Name: 3-[3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid Openeye Name: 3-[3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanoic acid CAS Name: 3-[3-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid IUPAC Name: 3-[3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid Traditional Name: 3-[3-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionic acid Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=C(N3CCC(=O)O)C4=CC=CS4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NN=C(N3CCC(=O)O)C4=CC=CS4

InChI

InChI=1S/C21H23N3O4S2/c1-3-27-16-10-14-9-13(2)28-17(14)11-15(16)12-30-21-23-22-20(18-5-4-8-29-18)24(21)7-6-19(25)26/h4-5,8,10-11,13H,3,6-7,9,12H2,1-2H3,(H,25,26)