diethyl 5-acetamido-3-(6-chloranyl-2-oxidanylidene-chromen-3-yl)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-acetamido-3-(6-chloranyl-2-oxidanylidene-chromen-3-yl)thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-acetamido-3-(6-chloro-2-oxo-chromen-3-yl)thiophene-2,4-dicarboxylate CAS Name: 5-acetamido-3-(6-chloro-2-oxo-1-benzopyran-3-yl)thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-acetamido-3-(6-chloro-2-oxochromen-3-yl)thiophene-2,4-dicarboxylate Traditional Name: 5-acetamido-3-(6-chloro-2-keto-chromen-3-yl)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H18ClNO7S MolecularWeight: 463.88812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO7S/c1-4-28-20(26)16-15(17(21(27)29-5-2)31-18(16)23-10(3)24)13-9-11-8-12(22)6-7-14(11)30-19(13)25/h6-9H,4-5H2,1-3H3,(H,23,24)