2-(1,3-benzothiazol-6-ylcarbonylamino)-4-methyl-pentanoic acid

Systemtic Name: 2-(1,3-benzothiazol-6-ylcarbonylamino)-4-methyl-pentanoic acid Openeye Name: 2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-pentanoic acid CAS Name: 2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-4-methylpentanoic acid IUPAC Name: 2-(1,3-benzothiazole-6-carbonylamino)-4-methylpentanoic acid Traditional Name: 2-(1,3-benzothiazole-6-carbonylamino)-4-methyl-valeric acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c1-8(2)5-11(14(18)19)16-13(17)9-3-4-10-12(6-9)20-7-15-10/h3-4,6-8,11H,5H2,1-2H3,(H,16,17)(H,18,19)