ethyl 4-(dimethylaminomethyl)-5-oxidanyl-2-(pyridin-2-ylsulfanylmethyl)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4-(dimethylaminomethyl)-5-oxidanyl-2-(pyridin-2-ylsulfanylmethyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-(dimethylaminomethyl)-5-hydroxy-2-(2-pyridylsulfanylmethyl)benzofuran-3-carboxylate CAS Name: 4-(dimethylaminomethyl)-5-hydroxy-2-[(2-pyridinylthio)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-(dimethylaminomethyl)-5-hydroxy-2-(pyridin-2-ylsulfanylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 4-(dimethylaminomethyl)-5-hydroxy-2-[(2-pyridylthio)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=CC=CC=N3

InChI

InChI=1S/C20H22N2O4S/c1-4-25-20(24)19-16(12-27-17-7-5-6-10-21-17)26-15-9-8-14(23)13(18(15)19)11-22(2)3/h5-10,23H,4,11-12H2,1-3H3