ethyl 4-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[[4-(6-nitro-3-pyridyl)piperazin-1-yl]methyl]thiazole-2-carboxylate CAS Name: 4-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[[4-(6-nitro-3-pyridyl)piperazino]methyl]thiazole-2-carboxylic acid ethyl ester Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CS1)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4S/c1-2-25-16(22)15-18-12(11-26-15)10-19-5-7-20(8-6-19)13-3-4-14(17-9-13)21(23)24/h3-4,9,11H,2,5-8,10H2,1H3