methyl (2R)-4-[2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(6,7-dimethylbenzofuran-3-yl)acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-(6,7-dimethyl-3-benzofuranyl)-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(6,7-dimethylbenzofuran-3-yl)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CCSC(C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CCS[C@H](C3)C(=O)OC)C

InChI

InChI=1S/C18H21NO4S/c1-11-4-5-14-13(10-23-17(14)12(11)2)8-16(20)19-6-7-24-15(9-19)18(21)22-3/h4-5,10,15H,6-9H2,1-3H3/t15-/m1/s1