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

Systemtic Name: 2-[(7-cyclohexylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate Openeye Name: 2-[(7-cyclohexylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate CAS Name: butanoic 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 butanoate Traditional Name: butyric acid 2-[[7-(cyclohexylthio)-4-nitro-benzofurazan-5-yl]amino]ethyl ester Formula: C18H24N4O5S MolecularWeight: 408.47196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O5S/c1-2-6-15(23)26-10-9-19-13-11-14(28-12-7-4-3-5-8-12)16-17(21-27-20-16)18(13)22(24)25/h11-12,19H,2-10H2,1H3