2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid CAS Name: 2-[oxo-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzoic acid IUPAC Name: 2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H13N3O3S/c1-2-5-10-15-16-13(20-10)14-11(17)8-6-3-4-7-9(8)12(18)19/h3-4,6-7H,2,5H2,1H3,(H,18,19)(H,14,16,17)