ethyl 3-methyl-5-(methylsulfanylmethyl)-4-oxidanyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-(methylsulfanylmethyl)-4-oxidanyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 4-hydroxy-3-methyl-5-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 4-hydroxy-3-methyl-5-[(methylthio)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-3-methyl-5-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 4-hydroxy-3-methyl-5-[(methylthio)methyl]coumarilic acid ethyl ester Formula: C14H16O4S MolecularWeight: 280.33944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2O)CSC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2O)CSC)C

InChI

InChI=1S/C14H16O4S/c1-4-17-14(16)13-8(2)11-10(18-13)6-5-9(7-19-3)12(11)15/h5-6,15H,4,7H2,1-3H3