methyl (2R)-4-[2-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)carbonyloxy]ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)carbonyloxy]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(5-ethoxy-3-methyl-benzofuran-2-carbonyl)oxyacetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-[(5-ethoxy-3-methyl-2-benzofuranyl)-oxomethoxy]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(5-ethoxy-3-methyl-benzofuran-2-carbonyl)oxyacetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)N3CCSC(C3)C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)N3CCS[C@H](C3)C(=O)OC

InChI

InChI=1S/C20H23NO7S/c1-4-26-13-5-6-15-14(9-13)12(2)18(28-15)20(24)27-11-17(22)21-7-8-29-16(10-21)19(23)25-3/h5-6,9,16H,4,7-8,10-11H2,1-3H3/t16-/m1/s1