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

Systemtic Name: 2-[(7-cyclohexylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl ethanoate Openeye Name: 2-[(7-cyclohexylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl acetate CAS Name: acetic acid 2-[[7-(cyclohexylthio)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl ester IUPAC Name: 2-[(7-cyclohexylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl acetate Traditional Name: acetic acid 2-[[7-(cyclohexylthio)-4-nitro-benzofurazan-5-yl]amino]ethyl ester Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O5S/c1-10(21)24-8-7-17-12-9-13(26-11-5-3-2-4-6-11)14-15(19-25-18-14)16(12)20(22)23/h9,11,17H,2-8H2,1H3