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

Systemtic Name: 2-[methyl-(4-nitro-7-propan-2-ylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]ethyl ethanoate Openeye Name: 2-[(7-isopropylsulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl)-methyl-amino]ethyl acetate CAS Name: acetic acid 2-[methyl-[4-nitro-7-(propan-2-ylthio)-2,1,3-benzoxadiazol-5-yl]amino]ethyl ester IUPAC Name: 2-[methyl-(4-nitro-7-propan-2-ylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]ethyl acetate Traditional Name: acetic acid 2-[[7-(isopropylthio)-4-nitro-benzofurazan-5-yl]-methyl-amino]ethyl ester Formula: C14H18N4O5S MolecularWeight: 354.38152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC(=C(C2=NON=C12)[N+](=O)[O-])N(C)CCOC(=O)C

Isomeric SMILES

CC(C)SC1=CC(=C(C2=NON=C12)[N+](=O)[O-])N(C)CCOC(=O)C

InChI

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