2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl butanoate

Systemtic Name: 2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl butanoate Openeye Name: 2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl butanoate CAS Name: butanoic acid 2-[[7-(1H-benzimidazol-2-ylthio)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl ester IUPAC Name: 2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl butanoate Traditional Name: butyric acid 2-[[7-(1H-benzimidazol-2-ylthio)-4-nitro-benzofurazan-5-yl]amino]ethyl ester Formula: C19H18N6O5S MolecularWeight: 442.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O5S/c1-2-5-15(26)29-9-8-20-13-10-14(16-17(24-30-23-16)18(13)25(27)28)31-19-21-11-6-3-4-7-12(11)22-19/h3-4,6-7,10,20H,2,5,8-9H2,1H3,(H,21,22)