methyl 2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]carbonylamino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]carbonylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[[2-(1-methylpyrazol-4-yl)thiazole-4-carbonyl]amino]-5-morpholino-benzoate CAS Name: 2-[[[2-(1-methyl-4-pyrazolyl)-4-thiazolyl]-oxomethyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[[2-(1-methylpyrazol-4-yl)thiazole-4-carbonyl]amino]-5-morpholino-benzoic acid methyl ester Formula: C20H21N5O4S MolecularWeight: 427.47684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NC(=CS2)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)C(=O)OC

Isomeric SMILES

CN1C=C(C=N1)C2=NC(=CS2)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)C(=O)OC

InChI

InChI=1S/C20H21N5O4S/c1-24-11-13(10-21-24)19-23-17(12-30-19)18(26)22-16-4-3-14(9-15(16)20(27)28-2)25-5-7-29-8-6-25/h3-4,9-12H,5-8H2,1-2H3,(H,22,26)