ethyl 6-ethanoyl-7-oxidanyl-4-oxidanylidene-8-propyl-thiochromene-2-carboxylate

Systemtic Name: ethyl 6-ethanoyl-7-oxidanyl-4-oxidanylidene-8-propyl-thiochromene-2-carboxylate Openeye Name: ethyl 6-acetyl-7-hydroxy-4-oxo-8-propyl-thiochromene-2-carboxylate CAS Name: 6-acetyl-7-hydroxy-4-oxo-8-propyl-1-benzothiopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-acetyl-7-hydroxy-4-oxo-8-propylthiochromene-2-carboxylate Traditional Name: 6-acetyl-7-hydroxy-4-keto-8-propyl-thiochromene-2-carboxylic acid ethyl ester Formula: C17H18O5S MolecularWeight: 334.38682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1O)C(=O)C)C(=O)C=C(S2)C(=O)OCC

Isomeric SMILES

CCCC1=C2C(=CC(=C1O)C(=O)C)C(=O)C=C(S2)C(=O)OCC

InChI

InChI=1S/C17H18O5S/c1-4-6-10-15(20)11(9(3)18)7-12-13(19)8-14(23-16(10)12)17(21)22-5-2/h7-8,20H,4-6H2,1-3H3