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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-3-hydroxy-butyric acid Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4S2/c1-7(16)11(12(18)19)15-10(17)6-20-13-14-8-4-2-3-5-9(8)21-13/h2-5,7,11,16H,6H2,1H3,(H,15,17)(H,18,19)