1H-benzimidazol-2-ylsulfanyl 4-(methylamino)-4-oxidanylidene-butanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCC(=O)OSC1=NC2=CC=CC=C2N1

Isomeric SMILES

CNC(=O)CCC(=O)OSC1=NC2=CC=CC=C2N1

InChI

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