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

Systemtic Name: ethyl 4-[[4-(morpholin-4-ylmethyl)-2-nitro-phenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-[[4-(morpholinomethyl)-2-nitro-phenyl]methylamino]-2-(4-pyridyl)thiazole-5-carboxylate CAS Name: 4-[[4-(4-morpholinylmethyl)-2-nitrophenyl]methylamino]-2-pyridin-4-yl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(morpholin-4-ylmethyl)-2-nitrophenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-[[4-(morpholinomethyl)-2-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=C(C=C3)CN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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