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

Systemtic Name: 2-[[4-nitro-7-(phenylmethylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate Openeye Name: 2-[(7-benzylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl propanoate CAS Name: propanoic acid 2-[[4-nitro-7-(phenylmethylthio)-2,1,3-benzoxadiazol-5-yl]amino]ethyl ester IUPAC Name: 2-[(7-benzylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl propanoate Traditional Name: propionic acid 2-[[7-(benzylthio)-4-nitro-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)SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OCCNC1=C(C2=NON=C2C(=C1)SCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-2-15(23)26-9-8-19-13-10-14(28-11-12-6-4-3-5-7-12)16-17(21-27-20-16)18(13)22(24)25/h3-7,10,19H,2,8-9,11H2,1H3