2-[[7-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl butanoate

Systemtic Name: 2-[[7-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl butanoate Openeye Name: 2-[[7-(3-methoxy-3-oxo-propyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl butanoate CAS Name: butanoic acid 2-[[7-[(3-methoxy-3-oxopropyl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl ester IUPAC Name: 2-[[7-(3-methoxy-3-oxopropyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl butanoate Traditional Name: butyric acid 2-[[7-[(3-keto-3-methoxy-propyl)thio]-4-nitro-benzofurazan-5-yl]amino]ethyl ester Formula: C16H20N4O7S MolecularWeight: 412.4176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O7S/c1-3-4-13(22)26-7-6-17-10-9-11(28-8-5-12(21)25-2)14-15(19-27-18-14)16(10)20(23)24/h9,17H,3-8H2,1-2H3