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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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