2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-3-methyl-butyric acid Formula: C14H16N2O3S2 MolecularWeight: 324.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C14H16N2O3S2/c1-8(2)12(13(18)19)16-11(17)7-20-14-15-9-5-3-4-6-10(9)21-14/h3-6,8,12H,7H2,1-2H3,(H,16,17)(H,18,19)