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

Systemtic Name: [2-(1,3-dinitrooxypropan-2-yldisulfanyl)phenyl] 2-(5-methyl-1,3-thiazol-4-yl)ethanoate Openeye Name: [2-[[2-nitrooxy-1-(nitrooxymethyl)ethyl]disulfanyl]phenyl] 2-(5-methylthiazol-4-yl)acetate CAS Name: 2-(5-methyl-4-thiazolyl)acetic acid [2-(1,3-dinitrooxypropan-2-yldisulfanyl)phenyl] ester IUPAC Name: [2-(1,3-dinitrooxypropan-2-yldisulfanyl)phenyl] 2-(5-methyl-1,3-thiazol-4-yl)acetate Traditional Name: 2-(5-methylthiazol-4-yl)acetic acid [2-[[2-nitrooxy-1-(nitrooxymethyl)ethyl]disulfanyl]phenyl] ester Formula: C15H15N3O8S3 MolecularWeight: 461.4899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CS1)CC(=O)OC2=CC=CC=C2SSC(CO[N+](=O)[O-])CO[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=CS1)CC(=O)OC2=CC=CC=C2SSC(CO[N+](=O)[O-])CO[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O8S3/c1-10-12(16-9-27-10)6-15(19)26-13-4-2-3-5-14(13)29-28-11(7-24-17(20)21)8-25-18(22)23/h2-5,9,11H,6-8H2,1H3