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

Systemtic Name: methyl (2S)-4-[2-[(3-methyl-1-benzofuran-2-yl)carbonyloxy]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2S)-4-[2-(3-methylbenzofuran-2-carbonyl)oxyacetyl]thiomorpholine-2-carboxylate CAS Name: (2S)-4-[2-[(3-methyl-2-benzofuranyl)-oxomethoxy]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]thiomorpholine-2-carboxylate Traditional Name: (2S)-4-[2-(3-methylbenzofuran-2-carbonyl)oxyacetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N3CCSC(C3)C(=O)OC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N3CCS[C@@H](C3)C(=O)OC

InChI

InChI=1S/C18H19NO6S/c1-11-12-5-3-4-6-13(12)25-16(11)18(22)24-10-15(20)19-7-8-26-14(9-19)17(21)23-2/h3-6,14H,7-10H2,1-2H3/t14-/m0/s1