ethyl 5-methoxy-3-(pyridin-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-methoxy-3-(pyridin-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-methoxy-3-(2-pyridylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 5-methoxy-3-[(2-pyridinylthio)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-(pyridin-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-[(2-pyridylthio)methyl]coumarilic acid ethyl ester Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)OC)CSC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)OC)CSC3=CC=CC=N3

InChI

InChI=1S/C18H17NO4S/c1-3-22-18(20)17-14(11-24-16-6-4-5-9-19-16)13-10-12(21-2)7-8-15(13)23-17/h4-10H,3,11H2,1-2H3