2-(1H-benzimidazol-2-ylsulfanyl)-4-(methylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-4-(methylamino)-4-oxidanylidene-butanoic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-4-(methylamino)-4-oxo-butanoic acid CAS Name: 2-(1H-benzimidazol-2-ylthio)-4-(methylamino)-4-oxobutanoic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-4-(methylamino)-4-oxobutanoic acid Traditional Name: 2-(1H-benzimidazol-2-ylthio)-4-keto-4-(methylamino)butyric acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC(C(=O)O)SC1=NC2=CC=CC=C2N1

Isomeric SMILES

CNC(=O)CC(C(=O)O)SC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C12H13N3O3S/c1-13-10(16)6-9(11(17)18)19-12-14-7-4-2-3-5-8(7)15-12/h2-5,9H,6H2,1H3,(H,13,16)(H,14,15)(H,17,18)