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

Systemtic Name: 1,3-benzothiazol-2-ylsulfanyl 4-(methylamino)-4-oxidanylidene-butanoate Openeye Name: 1,3-benzothiazol-2-ylsulfanyl 4-(methylamino)-4-oxo-butanoate CAS Name: 4-(methylamino)-4-oxobutanoic acid (1,3-benzothiazol-2-ylthio) ester IUPAC Name: 1,3-benzothiazol-2-ylsulfanyl 4-(methylamino)-4-oxobutanoate Traditional Name: 4-keto-4-(methylamino)butyric acid (1,3-benzothiazol-2-ylthio) ester Formula: C12H12N2O3S2 MolecularWeight: 296.36528

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCC(=O)OSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CNC(=O)CCC(=O)OSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H12N2O3S2/c1-13-10(15)6-7-11(16)17-19-12-14-8-4-2-3-5-9(8)18-12/h2-5H,6-7H2,1H3,(H,13,15)