ethyl 2-[[azanyl-[methoxycarbonyl-(2-nitro-5-propylsulfanyl-phenyl)amino]methylidene]amino]ethanoate

Systemtic Name: ethyl 2-[[azanyl-[methoxycarbonyl-(2-nitro-5-propylsulfanyl-phenyl)amino]methylidene]amino]ethanoate Openeye Name: ethyl 2-[[amino-(N-methoxycarbonyl-2-nitro-5-propylsulfanyl-anilino)methylene]amino]acetate CAS Name: 2-[[amino-[N-methoxycarbonyl-2-nitro-5-(propylthio)anilino]methylidene]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[amino-(N-methoxycarbonyl-2-nitro-5-propylsulfanylanilino)methylidene]amino]acetate Traditional Name: 2-[[amino-[N-carbomethoxy-2-nitro-5-(propylthio)anilino]methylene]amino]acetic acid ethyl ester Formula: C16H22N4O6S MolecularWeight: 398.43408

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N(C(=NCC(=O)OCC)N)C(=O)OC

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N(C(=NCC(=O)OCC)N)C(=O)OC

InChI

InChI=1S/C16H22N4O6S/c1-4-8-27-11-6-7-12(20(23)24)13(9-11)19(16(22)25-3)15(17)18-10-14(21)26-5-2/h6-7,9H,4-5,8,10H2,1-3H3,(H2,17,18)