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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)C2=CN=CC=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)18-4-3-7-24-13-18)25-14-17-6-5-16(12-19(17)28(30)31)15-27-8-10-32-11-9-27/h3-7,12-13,25H,2,8-11,14-15H2,1H3