azanium O4-(1H-benzimidazol-2-ylsulfanyl) O1-propan-2-yl butanedioate

Systemtic Name: azanium O4-(1H-benzimidazol-2-ylsulfanyl) O1-propan-2-yl butanedioate Openeye Name: ammonium O4-(1H-benzimidazol-2-ylsulfanyl) O1-isopropyl butanedioate CAS Name: ammonium butanedioic acid O4-(1H-benzimidazol-2-ylthio) ester O1-propan-2-yl ester IUPAC Name: azanium 4-O-(1H-benzimidazol-2-ylsulfanyl) 1-O-propan-2-yl butanedioate Traditional Name: ammonium succinic acid O4-(1H-benzimidazol-2-ylthio) ester O1-isopropyl ester Formula: C14H20N3O4S+ MolecularWeight: 326.3913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S.H3N/c1-9(2)19-12(17)7-8-13(18)20-21-14-15-10-5-3-4-6-11(10)16-14;/h3-6,9H,7-8H2,1-2H3,(H,15,16);1H3/p+1