[2-(1,3-dinitrooxypropan-2-yldisulfanyl)phenyl] 3-(4-methyl-1,3-thiazol-5-yl)propanoate

Systemtic Name: [2-(1,3-dinitrooxypropan-2-yldisulfanyl)phenyl] 3-(4-methyl-1,3-thiazol-5-yl)propanoate Openeye Name: [2-[[2-nitrooxy-1-(nitrooxymethyl)ethyl]disulfanyl]phenyl] 3-(4-methylthiazol-5-yl)propanoate CAS Name: 3-(4-methyl-5-thiazolyl)propanoic acid [2-(1,3-dinitrooxypropan-2-yldisulfanyl)phenyl] ester IUPAC Name: [2-(1,3-dinitrooxypropan-2-yldisulfanyl)phenyl] 3-(4-methyl-1,3-thiazol-5-yl)propanoate Traditional Name: 3-(4-methylthiazol-5-yl)propionic acid [2-[[2-nitrooxy-1-(nitrooxymethyl)ethyl]disulfanyl]phenyl] ester Formula: C16H17N3O8S3 MolecularWeight: 475.51648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCC(=O)OC2=CC=CC=C2SSC(CO[N+](=O)[O-])CO[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=N1)CCC(=O)OC2=CC=CC=C2SSC(CO[N+](=O)[O-])CO[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O8S3/c1-11-14(28-10-17-11)6-7-16(20)27-13-4-2-3-5-15(13)30-29-12(8-25-18(21)22)9-26-19(23)24/h2-5,10,12H,6-9H2,1H3