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

Systemtic Name: 2-[[7-(4-methylphenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate Openeye Name: 2-[[4-nitro-7-(p-tolylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate CAS Name: propanoic acid 2-[[7-[(4-methylphenyl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl ester IUPAC Name: 2-[[7-(4-methylphenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate Traditional Name: propionic acid 2-[[4-nitro-7-(p-tolylthio)benzofurazan-5-yl]amino]ethyl ester Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S/c1-3-15(23)26-9-8-19-13-10-14(28-12-6-4-11(2)5-7-12)16-17(21-27-20-16)18(13)22(24)25/h4-7,10,19H,3,8-9H2,1-2H3