3-[5-[[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]propanoic acid

Systemtic Name: 3-[5-[[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]propanoic acid Openeye Name: 3-[5-[[4-methyl-5-(4-sulfamoylphenyl)thiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]propanoic acid CAS Name: 3-[5-[[4-methyl-5-(4-sulfamoylphenyl)-2-thiazolyl]methyl]-1,3,4-thiadiazol-2-yl]propanoic acid IUPAC Name: 3-[5-[[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]propanoic acid Traditional Name: 3-[5-[[4-methyl-5-(4-sulfamoylphenyl)thiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]propionic acid Formula: C16H16N4O4S3 MolecularWeight: 424.51764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC2=NN=C(S2)CCC(=O)O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(SC(=N1)CC2=NN=C(S2)CCC(=O)O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H16N4O4S3/c1-9-16(10-2-4-11(5-3-10)27(17,23)24)26-13(18-9)8-14-20-19-12(25-14)6-7-15(21)22/h2-5H,6-8H2,1H3,(H,21,22)(H2,17,23,24)