methyl 3-[[(1S)-3-oxidanylidene-2-[[(2R)-oxolan-2-yl]methyl]-1H-isoindol-1-yl]sulfanyl]propanoate

Systemtic Name: methyl 3-[[(1S)-3-oxidanylidene-2-[[(2R)-oxolan-2-yl]methyl]-1H-isoindol-1-yl]sulfanyl]propanoate Openeye Name: methyl 3-[(1S)-3-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindolin-1-yl]sulfanylpropanoate CAS Name: 3-[[(1S)-3-oxo-2-[[(2R)-2-oxolanyl]methyl]-1H-isoindol-1-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[(1S)-3-oxo-2-[[(2R)-oxolan-2-yl]methyl]-1H-isoindol-1-yl]sulfanyl]propanoate Traditional Name: 3-[[(1S)-3-keto-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindolin-1-yl]thio]propionic acid methyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1C2=CC=CC=C2C(=O)N1CC3CCCO3

Isomeric SMILES

COC(=O)CCS[C@H]1C2=CC=CC=C2C(=O)N1C[C@H]3CCCO3

InChI

InChI=1S/C17H21NO4S/c1-21-15(19)8-10-23-17-14-7-3-2-6-13(14)16(20)18(17)11-12-5-4-9-22-12/h2-3,6-7,12,17H,4-5,8-11H2,1H3/t12-,17+/m1/s1