methyl 7-methylsulfanyl-9-oxidanylidene-5-pentoxy-xanthene-2-carboxylate

Systemtic Name: methyl 7-methylsulfanyl-9-oxidanylidene-5-pentoxy-xanthene-2-carboxylate Openeye Name: methyl 7-methylsulfanyl-9-oxo-5-pentoxy-xanthene-2-carboxylate CAS Name: 7-(methylthio)-9-oxo-5-pentoxy-2-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 7-methylsulfanyl-9-oxo-5-pentoxyxanthene-2-carboxylate Traditional Name: 5-amoxy-9-keto-7-(methylthio)xanthene-2-carboxylic acid methyl ester Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC

Isomeric SMILES

CCCCCOC1=C2C(=CC(=C1)SC)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H22O5S/c1-4-5-6-9-25-18-12-14(27-3)11-16-19(22)15-10-13(21(23)24-2)7-8-17(15)26-20(16)18/h7-8,10-12H,4-6,9H2,1-3H3