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

Systemtic Name: 2-[(7-cyclohexylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl propanoate Openeye Name: 2-[(7-cyclohexylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid 2-[[7-(cyclohexylthio)-4-nitro-benzofurazan-5-yl]amino]ethyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O5S/c1-2-14(22)25-9-8-18-12-10-13(27-11-6-4-3-5-7-11)15-16(20-26-19-15)17(12)21(23)24/h10-11,18H,2-9H2,1H3