ethyl 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-2-(tetrahydrofuran-2-ylmethylamino)thiazole-5-carboxylate CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-(2-oxolanylmethylamino)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-2-(oxolan-2-ylmethylamino)-1,3-thiazole-5-carboxylate Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-2-(tetrahydrofurfurylamino)thiazole-5-carboxylic acid ethyl ester Formula: C17H23N5O5S MolecularWeight: 409.46002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NCC2CCCO2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NCC2CCCO2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H23N5O5S/c1-4-26-16(23)15-13(9-21-11(3)14(22(24)25)10(2)20-21)19-17(28-15)18-8-12-6-5-7-27-12/h12H,4-9H2,1-3H3,(H,18,19)