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

Systemtic Name: ethyl 4-[[5-(3-morpholin-4-ylpropoxy)-2-nitro-phenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-[[5-(3-morpholinopropoxy)-2-nitro-phenyl]methylamino]-2-(4-pyridyl)thiazole-5-carboxylate CAS Name: 4-[[5-[3-(4-morpholinyl)propoxy]-2-nitrophenyl]methylamino]-2-pyridin-4-yl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(3-morpholin-4-ylpropoxy)-2-nitrophenyl]methylamino]-2-pyridin-4-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-[[5-(3-morpholinopropoxy)-2-nitro-benzyl]amino]-2-(4-pyridyl)thiazole-5-carboxylic acid ethyl ester Formula: C25H29N5O6S MolecularWeight: 527.59266

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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)OCCCN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)C2=CC=NC=C2)NCC3=C(C=CC(=C3)OCCCN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O6S/c1-2-35-25(31)22-23(28-24(37-22)18-6-8-26-9-7-18)27-17-19-16-20(4-5-21(19)30(32)33)36-13-3-10-29-11-14-34-15-12-29/h4-9,16,27H,2-3,10-15,17H2,1H3