(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 5-morpholin-4-yl-2-nitro-benzoate

Systemtic Name: (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 5-morpholin-4-yl-2-nitro-benzoate Openeye Name: [2-(2-pyridyl)thiazol-4-yl]methyl 5-morpholino-2-nitro-benzoate CAS Name: 5-(4-morpholinyl)-2-nitrobenzoic acid [2-(2-pyridinyl)-4-thiazolyl]methyl ester IUPAC Name: (2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 5-morpholin-4-yl-2-nitrobenzoate Traditional Name: 5-morpholino-2-nitro-benzoic acid [2-(2-pyridyl)thiazol-4-yl]methyl ester Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CSC(=N3)C4=CC=CC=N4

Isomeric SMILES

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CSC(=N3)C4=CC=CC=N4

InChI

InChI=1S/C20H18N4O5S/c25-20(29-12-14-13-30-19(22-14)17-3-1-2-6-21-17)16-11-15(4-5-18(16)24(26)27)23-7-9-28-10-8-23/h1-6,11,13H,7-10,12H2