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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC(C(=O)O)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CNC(=O)CC(C(=O)O)SC1=NC2=CC=CC=C2S1

InChI

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