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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O6S2/c1-8-11(2-4-20-14(16)17)23-12(13-8)10(6-21-15(18)19)9-3-5-22-7-9/h3,5,7,10H,2,4,6H2,1H3