azanium 1H-benzimidazol-2-ylsulfanyl 4-oxidanylidene-4-(propan-2-ylamino)butanoate

Systemtic Name: azanium 1H-benzimidazol-2-ylsulfanyl 4-oxidanylidene-4-(propan-2-ylamino)butanoate Openeye Name: ammonium 1H-benzimidazol-2-ylsulfanyl 4-(isopropylamino)-4-oxo-butanoate CAS Name: ammonium 4-oxo-4-(propan-2-ylamino)butanoic acid (1H-benzimidazol-2-ylthio) ester IUPAC Name: azanium 1H-benzimidazol-2-ylsulfanyl 4-oxo-4-(propan-2-ylamino)butanoate Traditional Name: ammonium 4-(isopropylamino)-4-keto-butyric acid (1H-benzimidazol-2-ylthio) ester Formula: C14H21N4O3S+ MolecularWeight: 325.40654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CCC(=O)OSC1=NC2=CC=CC=C2N1.[NH4+]

Isomeric SMILES

CC(C)NC(=O)CCC(=O)OSC1=NC2=CC=CC=C2N1.[NH4+]

InChI

InChI=1S/C14H17N3O3S.H3N/c1-9(2)15-12(18)7-8-13(19)20-21-14-16-10-5-3-4-6-11(10)17-14;/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17);1H3/p+1