ethyl 3-azanylidene-3-tetradecylsulfanyl-propanoate; 4-nitro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene

Systemtic Name: ethyl 3-azanylidene-3-tetradecylsulfanyl-propanoate; 4-nitro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene Openeye Name: ethyl 3-imino-3-tetradecylsulfanyl-propanoate; 4-nitro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene CAS Name: 3-imino-3-(tetradecylthio)propanoic acid ethyl ester; 4-nitro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene IUPAC Name: ethyl 3-imino-3-tetradecylsulfanylpropanoate; 4-nitro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene Traditional Name: 3-imino-3-(myristylthio)propionic acid ethyl ester; 4-nitro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene Formula: C25H41N3O4S MolecularWeight: 479.67574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCSC(=N)CC(=O)OCC.C1=CC(=C2C=C1N2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCSC(=N)CC(=O)OCC.C1=CC(=C2C=C1N2)[N+](=O)[O-]

InChI

InChI=1S/C19H37NO2S.C6H4N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-23-18(20)17-19(21)22-4-2;9-8(10)6-2-1-4-3-5(6)7-4/h20H,3-17H2,1-2H3;1-3,7H