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

Systemtic Name: 2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl ethanoate Openeye Name: 2-[[7-(1H-benzimidazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl acetate CAS Name: acetic 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 acetate Traditional Name: acetic acid 2-[[7-(1H-benzimidazol-2-ylthio)-4-nitro-benzofurazan-5-yl]amino]ethyl ester Formula: C17H14N6O5S MolecularWeight: 414.39526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N6O5S/c1-9(24)27-7-6-18-12-8-13(14-15(22-28-21-14)16(12)23(25)26)29-17-19-10-4-2-3-5-11(10)20-17/h2-5,8,18H,6-7H2,1H3,(H,19,20)