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

Systemtic Name: ethyl 4-[[2-(morpholin-4-ylmethyl)-6-nitro-phenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-[[2-(morpholinomethyl)-6-nitro-phenyl]methylamino]-2-(4-pyridyl)thiazole-5-carboxylate CAS Name: 4-[[2-(4-morpholinylmethyl)-6-nitrophenyl]methylamino]-2-pyridin-4-yl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(morpholin-4-ylmethyl)-6-nitrophenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-[[2-(morpholinomethyl)-6-nitro-benzyl]amino]-2-(4-pyridyl)thiazole-5-carboxylic acid ethyl ester Formula: C23H25N5O5S MolecularWeight: 483.5401

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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-])CN4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)C2=CC=NC=C2)NCC3=C(C=CC=C3[N+](=O)[O-])CN4CCOCC4

InChI

InChI=1S/C23H25N5O5S/c1-2-33-23(29)20-21(26-22(34-20)16-6-8-24-9-7-16)25-14-18-17(4-3-5-19(18)28(30)31)15-27-10-12-32-13-11-27/h3-9,25H,2,10-15H2,1H3