4-nitrooxybutyl 2-acetamido-3-[2-(6-methoxynaphthalen-2-yl)propanoylsulfanyl]-3-oxidanylidene-propanoate

Systemtic Name: 4-nitrooxybutyl 2-acetamido-3-[2-(6-methoxynaphthalen-2-yl)propanoylsulfanyl]-3-oxidanylidene-propanoate Openeye Name: 4-nitrooxybutyl 2-acetamido-3-[2-(6-methoxy-2-naphthyl)propanoylsulfanyl]-3-oxo-propanoate CAS Name: 2-acetamido-3-[[2-(6-methoxy-2-naphthalenyl)-1-oxopropyl]thio]-3-oxopropanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-acetamido-3-[2-(6-methoxynaphthalen-2-yl)propanoylsulfanyl]-3-oxopropanoate Traditional Name: 2-acetamido-3-keto-3-[2-(6-methoxy-2-naphthyl)propanoylthio]propionic acid 4-nitrooxybutyl ester Formula: C23H26N2O9S MolecularWeight: 506.52554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)SC(=O)C(C(=O)OCCCCO[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)SC(=O)C(C(=O)OCCCCO[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C23H26N2O9S/c1-14(16-6-7-18-13-19(32-3)9-8-17(18)12-16)22(28)35-23(29)20(24-15(2)26)21(27)33-10-4-5-11-34-25(30)31/h6-9,12-14,20H,4-5,10-11H2,1-3H3,(H,24,26)