[5-(2-methyl-2-nitrososulfanyl-propyl)-3,6-bis(oxidanylidene)piperazin-2-yl] 2-(7-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [5-(2-methyl-2-nitrososulfanyl-propyl)-3,6-bis(oxidanylidene)piperazin-2-yl] 2-(7-methoxynaphthalen-2-yl)propanoate Openeye Name: [5-(2-methyl-2-nitrososulfanyl-propyl)-3,6-dioxo-piperazin-2-yl] 2-(7-methoxy-2-naphthyl)propanoate CAS Name: 2-(7-methoxy-2-naphthalenyl)propanoic acid [5-[2-methyl-2-(nitrosothio)propyl]-3,6-dioxo-2-piperazinyl] ester IUPAC Name: [5-(2-methyl-2-nitrososulfanylpropyl)-3,6-dioxopiperazin-2-yl] 2-(7-methoxynaphthalen-2-yl)propanoate Traditional Name: 2-(7-methoxy-2-naphthyl)propionic acid [3,6-diketo-5-[2-methyl-2-(nitrosothio)propyl]piperazin-2-yl] ester Formula: C22H25N3O6S MolecularWeight: 459.5154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=CC(=C2)OC)C(=O)OC3C(=O)NC(C(=O)N3)CC(C)(C)SN=O

Isomeric SMILES

CC(C1=CC2=C(C=C1)C=CC(=C2)OC)C(=O)OC3C(=O)NC(C(=O)N3)CC(C)(C)SN=O

InChI

InChI=1S/C22H25N3O6S/c1-12(14-6-5-13-7-8-16(30-4)10-15(13)9-14)21(28)31-20-19(27)23-17(18(26)24-20)11-22(2,3)32-25-29/h5-10,12,17,20H,11H2,1-4H3,(H,23,27)(H,24,26)