3-[(2-propan-2-ylsulfanyl-1,3-benzothiazol-6-yl)amino]propanoic acid

Systemtic Name: 3-[(2-propan-2-ylsulfanyl-1,3-benzothiazol-6-yl)amino]propanoic acid Openeye Name: 3-[(2-isopropylsulfanyl-1,3-benzothiazol-6-yl)amino]propanoic acid CAS Name: 3-[[2-(propan-2-ylthio)-1,3-benzothiazol-6-yl]amino]propanoic acid IUPAC Name: 3-[(2-propan-2-ylsulfanyl-1,3-benzothiazol-6-yl)amino]propanoic acid Traditional Name: 3-[[2-(isopropylthio)-1,3-benzothiazol-6-yl]amino]propionic acid Formula: C13H16N2O2S2 MolecularWeight: 296.40834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(S1)C=C(C=C2)NCCC(=O)O

Isomeric SMILES

CC(C)SC1=NC2=C(S1)C=C(C=C2)NCCC(=O)O

InChI

InChI=1S/C13H16N2O2S2/c1-8(2)18-13-15-10-4-3-9(7-11(10)19-13)14-6-5-12(16)17/h3-4,7-8,14H,5-6H2,1-2H3,(H,16,17)