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

Systemtic Name: ethyl 3-(pyridin-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-(2-pyridylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(2-pyridinylthio)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-(pyridin-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(2-pyridylthio)methyl]coumarilic acid ethyl ester Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=CC=CC=N3

InChI

InChI=1S/C17H15NO3S/c1-2-20-17(19)16-13(11-22-15-9-5-6-10-18-15)12-7-3-4-8-14(12)21-16/h3-10H,2,11H2,1H3