(2-azanyl-2-oxidanylidene-ethyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: (2-amino-2-oxo-ethyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid (2-amino-2-keto-ethyl) ester Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OCC(=O)N

InChI

InChI=1S/C13H14N2O3S2/c14-11(16)8-18-12(17)6-3-7-19-13-15-9-4-1-2-5-10(9)20-13/h1-2,4-5H,3,6-8H2,(H2,14,16)