[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] (2R)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] (2R)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] (2R)-2-(4-cyanophenoxy)propanoate CAS Name: (2R)-2-(4-cyanophenoxy)propanoic acid [2-[[(2S)-butan-2-yl]-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate Traditional Name: (2R)-2-(4-cyanophenoxy)propionic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-[(1S)-1-methylpropyl]amino]-2-keto-ethyl] ester Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C1CCS(=O)(=O)C1)C(=O)COC(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CC[C@H](C)N([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)[C@@H](C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H26N2O6S/c1-4-14(2)22(17-9-10-29(25,26)13-17)19(23)12-27-20(24)15(3)28-18-7-5-16(11-21)6-8-18/h5-8,14-15,17H,4,9-10,12-13H2,1-3H3/t14-,15+,17-/m0/s1