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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)SC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCOC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)SC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCOC(=O)C

InChI

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