ethyl 8-chloranyl-5-methyl-4-oxidanyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromene-6-carboxylate

Systemtic Name: ethyl 8-chloranyl-5-methyl-4-oxidanyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromene-6-carboxylate Openeye Name: ethyl 8-chloro-4-hydroxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxylate CAS Name: 8-chloro-4-hydroxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-chloro-4-hydroxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxylate Traditional Name: 8-chloro-4-hydroxy-1,1-diketo-5-methyl-3,4-dihydro-2H-thiochromene-6-carboxylic acid ethyl ester Formula: C13H15ClO5S MolecularWeight: 318.7732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C(=C1C)C(CCS2(=O)=O)O)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C2C(=C1C)C(CCS2(=O)=O)O)Cl

InChI

InChI=1S/C13H15ClO5S/c1-3-19-13(16)8-6-9(14)12-11(7(8)2)10(15)4-5-20(12,17)18/h6,10,15H,3-5H2,1-2H3