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

Systemtic Name: 2-[(4-nitro-7-propan-2-ylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]ethyl propanoate Openeye Name: 2-[(7-isopropylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid 2-[[7-(isopropylthio)-4-nitro-benzofurazan-5-yl]amino]ethyl ester Formula: C14H18N4O5S MolecularWeight: 354.38152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O5S/c1-4-11(19)22-6-5-15-9-7-10(24-8(2)3)12-13(17-23-16-12)14(9)18(20)21/h7-8,15H,4-6H2,1-3H3