diethyl 2-[[(2S,3S)-3-[(2-oxidanylidenepyridin-1-yl)oxymethyl]thiiran-2-yl]methyl]-2-phenethyl-propanedioate

Systemtic Name: diethyl 2-[[(2S,3S)-3-[(2-oxidanylidenepyridin-1-yl)oxymethyl]thiiran-2-yl]methyl]-2-phenethyl-propanedioate Openeye Name: diethyl 2-[[(2S,3S)-3-[(2-oxo-1-pyridyl)oxymethyl]thiiran-2-yl]methyl]-2-phenethyl-propanedioate CAS Name: 2-[[(2S,3S)-3-[(2-oxo-1-pyridinyl)oxymethyl]-2-thiiranyl]methyl]-2-phenethylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(2S,3S)-3-[(2-oxopyridin-1-yl)oxymethyl]thiiran-2-yl]methyl]-2-phenethylpropanedioate Traditional Name: 2-[[(2S,3S)-3-[(2-keto-1-pyridyl)oxymethyl]thiiran-2-yl]methyl]-2-phenethyl-malonic acid diethyl ester Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)(CC2C(S2)CON3C=CC=CC3=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)(C[C@H]2[C@@H](S2)CON3C=CC=CC3=O)C(=O)OCC

InChI

InChI=1S/C24H29NO6S/c1-3-29-22(27)24(23(28)30-4-2,14-13-18-10-6-5-7-11-18)16-19-20(32-19)17-31-25-15-9-8-12-21(25)26/h5-12,15,19-20H,3-4,13-14,16-17H2,1-2H3/t19-,20-/m0/s1