methyl (2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(6-ethylbenzofuran-3-yl)acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-(6-ethyl-3-benzofuranyl)-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(6-ethylbenzofuran-3-yl)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCSC(C3)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCS[C@H](C3)C(=O)OC

InChI

InChI=1S/C18H21NO4S/c1-3-12-4-5-14-13(11-23-15(14)8-12)9-17(20)19-6-7-24-16(10-19)18(21)22-2/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3/t16-/m1/s1