methyl 6-chloranyl-4-oxidanyl-3,4-dihydro-2H-thiochromene-7-carboxylate

Systemtic Name: methyl 6-chloranyl-4-oxidanyl-3,4-dihydro-2H-thiochromene-7-carboxylate Openeye Name: methyl 6-chloro-4-hydroxy-thiochromane-7-carboxylate CAS Name: 6-chloro-4-hydroxy-3,4-dihydro-2H-1-benzothiopyran-7-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-4-hydroxy-3,4-dihydro-2H-thiochromene-7-carboxylate Traditional Name: 6-chloro-4-hydroxy-thiochroman-7-carboxylic acid methyl ester Formula: C11H11ClO3S MolecularWeight: 258.72124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1Cl)C(CCS2)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1Cl)C(CCS2)O

InChI

InChI=1S/C11H11ClO3S/c1-15-11(14)6-5-10-7(4-8(6)12)9(13)2-3-16-10/h4-5,9,13H,2-3H2,1H3