dimethyl 7-chloranyl-4-sulfanylidene-1H-quinoline-2,3-dicarboxylate

Systemtic Name: dimethyl 7-chloranyl-4-sulfanylidene-1H-quinoline-2,3-dicarboxylate Openeye Name: dimethyl 7-chloro-4-thioxo-1H-quinoline-2,3-dicarboxylate CAS Name: 7-chloro-4-sulfanylidene-1H-quinoline-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 7-chloro-4-sulfanylidene-1H-quinoline-2,3-dicarboxylate Traditional Name: 7-chloro-4-thioxo-1H-quinoline-2,3-dicarboxylic acid dimethyl ester Formula: C13H10ClNO4S MolecularWeight: 311.7408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=C(C1=S)C=CC(=C2)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(NC2=C(C1=S)C=CC(=C2)Cl)C(=O)OC

InChI

InChI=1S/C13H10ClNO4S/c1-18-12(16)9-10(13(17)19-2)15-8-5-6(14)3-4-7(8)11(9)20/h3-5H,1-2H3,(H,15,20)