diethyl 3-methyl-5-[[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-2H-1,2-oxazol-3-yl]carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-2H-1,2-oxazol-3-yl]carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-2H-isoxazole-3-carbonyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[oxo-[5-(4-oxo-1-cyclohexa-2,5-dienylidene)-2H-isoxazol-3-yl]methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-2H-1,2-oxazole-3-carbonyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3-isoxazoline-3-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H20N2O7S MolecularWeight: 444.4577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=C3C=CC(=O)C=C3)ON2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=C3C=CC(=O)C=C3)ON2

InChI

InChI=1S/C21H20N2O7S/c1-4-28-20(26)16-11(3)17(21(27)29-5-2)31-19(16)22-18(25)14-10-15(30-23-14)12-6-8-13(24)9-7-12/h6-10,23H,4-5H2,1-3H3,(H,22,25)