2-(1H-indazol-5-ylcarbonylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-(1H-indazol-5-ylcarbonylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(1H-indazole-5-carbonylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2-[[1H-indazol-5-yl(oxo)methyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-(1H-indazole-5-carbonylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(1H-indazole-5-carbonylamino)-4-(methylthio)butyric acid Formula: C13H15N3O3S MolecularWeight: 293.3415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC2=C(C=C1)NN=C2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC2=C(C=C1)NN=C2

InChI

InChI=1S/C13H15N3O3S/c1-20-5-4-11(13(18)19)15-12(17)8-2-3-10-9(6-8)7-14-16-10/h2-3,6-7,11H,4-5H2,1H3,(H,14,16)(H,15,17)(H,18,19)