diethyl 3-methyl-5-[(5-phenyl-1,2-oxazol-3-yl)carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(5-phenyl-1,2-oxazol-3-yl)carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(5-phenylisoxazole-3-carbonyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[oxo-(5-phenyl-3-isoxazolyl)methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(5-phenylisoxazole-3-carbonyl)amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NOC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NOC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O6S/c1-4-27-20(25)16-12(3)17(21(26)28-5-2)30-19(16)22-18(24)14-11-15(29-23-14)13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3,(H,22,24)