2-(1,3-benzothiazol-2-ylcarbonylamino)-4-methylsulfanyl-butanoic acid; tert-butyl methanoate

Systemtic Name: 2-(1,3-benzothiazol-2-ylcarbonylamino)-4-methylsulfanyl-butanoic acid; tert-butyl methanoate Openeye Name: 2-(1,3-benzothiazole-2-carbonylamino)-4-methylsulfanyl-butanoic acid; tert-butyl formate CAS Name: 2-[[1,3-benzothiazol-2-yl(oxo)methyl]amino]-4-(methylthio)butanoic acid; formic acid tert-butyl ester IUPAC Name: 2-(1,3-benzothiazole-2-carbonylamino)-4-methylsulfanylbutanoic acid; tert-butyl formate Traditional Name: 2-(1,3-benzothiazole-2-carbonylamino)-4-(methylthio)butyric acid; formic acid tert-butyl ester Formula: C18H24N2O5S2 MolecularWeight: 412.52356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC=O.CSCCC(C(=O)O)NC(=O)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)(C)OC=O.CSCCC(C(=O)O)NC(=O)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H14N2O3S2.C5H10O2/c1-19-7-6-9(13(17)18)14-11(16)12-15-8-4-2-3-5-10(8)20-12;1-5(2,3)7-4-6/h2-5,9H,6-7H2,1H3,(H,14,16)(H,17,18);4H,1-3H3