5-[3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[3-(1-methyltetrazol-5-yl)sulfanylpropanoylamino]benzoic acid CAS Name: 2-hydroxy-5-[[3-[(1-methyl-5-tetrazolyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[3-(1-methyltetrazol-5-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 2-hydroxy-5-[3-[(1-methyltetrazol-5-yl)thio]propanoylamino]benzoic acid Formula: C12H13N5O4S MolecularWeight: 323.32772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCC(=O)NC2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCCC(=O)NC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C12H13N5O4S/c1-17-12(14-15-16-17)22-5-4-10(19)13-7-2-3-9(18)8(6-7)11(20)21/h2-3,6,18H,4-5H2,1H3,(H,13,19)(H,20,21)