ethyl 5-chloranyl-8-methyl-1,1,4-tris(oxidanylidene)-2,3-dihydrothiochromene-6-carboxylate

Systemtic Name: ethyl 5-chloranyl-8-methyl-1,1,4-tris(oxidanylidene)-2,3-dihydrothiochromene-6-carboxylate Openeye Name: ethyl 5-chloro-8-methyl-1,1,4-trioxo-2,3-dihydrothiochromene-6-carboxylate CAS Name: 5-chloro-8-methyl-1,1,4-trioxo-2,3-dihydro-1-benzothiopyran-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-8-methyl-1,1,4-trioxo-2,3-dihydrothiochromene-6-carboxylate Traditional Name: 5-chloro-1,1,4-triketo-8-methyl-2,3-dihydrothiochromene-6-carboxylic acid ethyl ester Formula: C13H13ClO5S MolecularWeight: 316.75732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C(=C1Cl)C(=O)CCS2(=O)=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C2C(=C1Cl)C(=O)CCS2(=O)=O)C

InChI

InChI=1S/C13H13ClO5S/c1-3-19-13(16)8-6-7(2)12-10(11(8)14)9(15)4-5-20(12,17)18/h6H,3-5H2,1-2H3