methyl 7-oxidanyl-4-oxidanylidene-8-propyl-thiochromene-2-carboxylate

Systemtic Name: methyl 7-oxidanyl-4-oxidanylidene-8-propyl-thiochromene-2-carboxylate Openeye Name: methyl 7-hydroxy-4-oxo-8-propyl-thiochromene-2-carboxylate CAS Name: 7-hydroxy-4-oxo-8-propyl-1-benzothiopyran-2-carboxylic acid methyl ester IUPAC Name: methyl 7-hydroxy-4-oxo-8-propylthiochromene-2-carboxylate Traditional Name: 7-hydroxy-4-keto-8-propyl-thiochromene-2-carboxylic acid methyl ester Formula: C14H14O4S MolecularWeight: 278.32356

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1SC(=CC2=O)C(=O)OC)O

Isomeric SMILES

CCCC1=C(C=CC2=C1SC(=CC2=O)C(=O)OC)O

InChI

InChI=1S/C14H14O4S/c1-3-4-8-10(15)6-5-9-11(16)7-12(14(17)18-2)19-13(8)9/h5-7,15H,3-4H2,1-2H3