2-[[7-(5-tert-butyl-2-methyl-phenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate

Systemtic Name: 2-[[7-(5-tert-butyl-2-methyl-phenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate Openeye Name: 2-[[7-(5-tert-butyl-2-methyl-phenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate CAS Name: propanoic acid 2-[[7-[(5-tert-butyl-2-methylphenyl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl ester IUPAC Name: 2-[[7-(5-tert-butyl-2-methylphenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate Traditional Name: propionic acid 2-[[7-[(5-tert-butyl-2-methyl-phenyl)thio]-4-nitro-benzofurazan-5-yl]amino]ethyl ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=C(C=CC(=C3)C(C)(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=C(C=CC(=C3)C(C)(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5S/c1-6-18(27)30-10-9-23-15-12-17(19-20(25-31-24-19)21(15)26(28)29)32-16-11-14(22(3,4)5)8-7-13(16)2/h7-8,11-12,23H,6,9-10H2,1-5H3