2-(1,3-benzothiazol-6-ylcarbonylamino)-2-methyl-pentanoic acid

Systemtic Name: 2-(1,3-benzothiazol-6-ylcarbonylamino)-2-methyl-pentanoic acid Openeye Name: 2-(1,3-benzothiazole-6-carbonylamino)-2-methyl-pentanoic acid CAS Name: 2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-2-methylpentanoic acid IUPAC Name: 2-(1,3-benzothiazole-6-carbonylamino)-2-methylpentanoic acid Traditional Name: 2-(1,3-benzothiazole-6-carbonylamino)-2-methyl-valeric acid Formula: C14H16N2O3S MolecularWeight: 292.35344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC(=O)C1=CC2=C(C=C1)N=CS2

Isomeric SMILES

CCCC(C)(C(=O)O)NC(=O)C1=CC2=C(C=C1)N=CS2

InChI

InChI=1S/C14H16N2O3S/c1-3-6-14(2,13(18)19)16-12(17)9-4-5-10-11(7-9)20-8-15-10/h4-5,7-8H,3,6H2,1-2H3,(H,16,17)(H,18,19)