[1-[4-methyl-5-(2-nitrooxyethyl)-1,3-thiazol-2-yl]-1-thiophen-3-yl-ethyl] nitrate

Systemtic Name: [1-[4-methyl-5-(2-nitrooxyethyl)-1,3-thiazol-2-yl]-1-thiophen-3-yl-ethyl] nitrate Openeye Name: [1-[4-methyl-5-(2-nitrooxyethyl)thiazol-2-yl]-1-(3-thienyl)ethyl] nitrate CAS Name: nitric acid [1-[4-methyl-5-(2-nitrooxyethyl)-2-thiazolyl]-1-(3-thiophenyl)ethyl] ester IUPAC Name: [1-[4-methyl-5-(2-nitrooxyethyl)-1,3-thiazol-2-yl]-1-thiophen-3-ylethyl] nitrate Traditional Name: nitric acid [1-[4-methyl-5-(2-nitrooxyethyl)thiazol-2-yl]-1-(3-thienyl)ethyl] ester Formula: C12H13N3O6S2 MolecularWeight: 359.37812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C(C)(C2=CSC=C2)O[N+](=O)[O-])CCO[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C(C)(C2=CSC=C2)O[N+](=O)[O-])CCO[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O6S2/c1-8-10(3-5-20-14(16)17)23-11(13-8)12(2,21-15(18)19)9-4-6-22-7-9/h4,6-7H,3,5H2,1-2H3