[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl] ester Formula: C11H9N3O5S2 MolecularWeight: 327.33626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O5S2/c1-6-5-20-11(12-6)13-8(15)4-19-10(16)7-2-3-9(21-7)14(17)18/h2-3,5H,4H2,1H3,(H,12,13,15)