ethyl 3-azanyl-3-(5-nitro-2-tetradecylsulfanyl-phenyl)imino-propanoate hydrochloride

Systemtic Name: ethyl 3-azanyl-3-(5-nitro-2-tetradecylsulfanyl-phenyl)imino-propanoate hydrochloride Openeye Name: ethyl 3-amino-3-(5-nitro-2-tetradecylsulfanyl-phenyl)imino-propanoate hydrochloride CAS Name: 3-amino-3-[5-nitro-2-(tetradecylthio)phenyl]iminopropanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-amino-3-(5-nitro-2-tetradecylsulfanylphenyl)iminopropanoate hydrochloride Traditional Name: 3-amino-3-[2-(myristylthio)-5-nitro-phenyl]imino-propionic acid ethyl ester hydrochloride Formula: C25H42ClN3O4S MolecularWeight: 516.13668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCSC1=C(C=C(C=C1)[N+](=O)[O-])N=C(CC(=O)OCC)N.Cl

Isomeric SMILES

CCCCCCCCCCCCCCSC1=C(C=C(C=C1)[N+](=O)[O-])N=C(CC(=O)OCC)N.Cl

InChI

InChI=1S/C25H41N3O4S.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-33-23-17-16-21(28(30)31)19-22(23)27-24(26)20-25(29)32-4-2;/h16-17,19H,3-15,18,20H2,1-2H3,(H2,26,27);1H