diethyl 5-acetamido-3-(7-oxidanyl-2-oxidanylidene-chromen-3-yl)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-acetamido-3-(7-oxidanyl-2-oxidanylidene-chromen-3-yl)thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-acetamido-3-(7-hydroxy-2-oxo-chromen-3-yl)thiophene-2,4-dicarboxylate CAS Name: 5-acetamido-3-(7-hydroxy-2-oxo-1-benzopyran-3-yl)thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-acetamido-3-(7-hydroxy-2-oxochromen-3-yl)thiophene-2,4-dicarboxylate Traditional Name: 5-acetamido-3-(7-hydroxy-2-keto-chromen-3-yl)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H19NO8S MolecularWeight: 445.44246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC3=C(C=C(C=C3)O)OC2=O)C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC3=C(C=C(C=C3)O)OC2=O)C(=O)OCC)NC(=O)C

InChI

InChI=1S/C21H19NO8S/c1-4-28-20(26)16-15(17(21(27)29-5-2)31-18(16)22-10(3)23)13-8-11-6-7-12(24)9-14(11)30-19(13)25/h6-9,24H,4-5H2,1-3H3,(H,22,23)