(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl ester IUPAC Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (5-ethoxy-2-methyl-coumaran-6-yl)methyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)COC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)COC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C19H21NO4S/c1-4-22-16-9-13-8-12(2)24-17(13)10-14(16)11-23-19(21)15-6-5-7-20-18(15)25-3/h5-7,9-10,12H,4,8,11H2,1-3H3