3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCCCN2C3=CC=CC=C3NC2=O)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCCCN2C3=CC=CC=C3NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S/c1-27-16-8-7-12(11-15(16)21(24)25)17(22)26-10-4-9-20-14-6-3-2-5-13(14)19-18(20)23/h2-3,5-8,11H,4,9-10H2,1H3,(H,19,23)