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

Systemtic Name: 2-[(4-nitro-7-propan-2-ylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate Openeye Name: 2-[(7-isopropylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate CAS Name: butanoic acid 2-[[4-nitro-7-(propan-2-ylthio)-2,1,3-benzoxadiazol-5-yl]amino]ethyl ester IUPAC Name: 2-[(4-nitro-7-propan-2-ylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate Traditional Name: butyric acid 2-[[7-(isopropylthio)-4-nitro-benzofurazan-5-yl]amino]ethyl ester Formula: C15H20N4O5S MolecularWeight: 368.4081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O5S/c1-4-5-12(20)23-7-6-16-10-8-11(25-9(2)3)13-14(18-24-17-13)15(10)19(21)22/h8-9,16H,4-7H2,1-3H3