ethyl 4-[[2-nitro-6-(piperidin-1-ylmethyl)phenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-[[2-nitro-6-(piperidin-1-ylmethyl)phenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-[[2-nitro-6-(1-piperidylmethyl)phenyl]methylamino]-2-(4-pyridyl)thiazole-5-carboxylate CAS Name: 4-[[2-nitro-6-(1-piperidinylmethyl)phenyl]methylamino]-2-pyridin-4-yl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-nitro-6-(piperidin-1-ylmethyl)phenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-[[2-nitro-6-(piperidinomethyl)benzyl]amino]-2-(4-pyridyl)thiazole-5-carboxylic acid ethyl ester Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)C2=CC=NC=C2)NCC3=C(C=CC=C3[N+](=O)[O-])CN4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)C2=CC=NC=C2)NCC3=C(C=CC=C3[N+](=O)[O-])CN4CCCCC4

InChI

InChI=1S/C24H27N5O4S/c1-2-33-24(30)21-22(27-23(34-21)17-9-11-25-12-10-17)26-15-19-18(7-6-8-20(19)29(31)32)16-28-13-4-3-5-14-28/h6-12,26H,2-5,13-16H2,1H3