ethyl (2R)-2-acetamido-3-[(1S)-2-(2-oxidanylpropan-2-yl)cyclohex-2-en-1-yl]sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-acetamido-3-[(1S)-2-(2-oxidanylpropan-2-yl)cyclohex-2-en-1-yl]sulfanyl-propanoate Openeye Name: ethyl (2R)-2-acetamido-3-[(1S)-2-(1-hydroxy-1-methyl-ethyl)cyclohex-2-en-1-yl]sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-[[(1S)-2-(2-hydroxypropan-2-yl)-1-cyclohex-2-enyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-acetamido-3-[(1S)-2-(2-hydroxypropan-2-yl)cyclohex-2-en-1-yl]sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-[[(1S)-2-(1-hydroxy-1-methyl-ethyl)cyclohex-2-en-1-yl]thio]propionic acid ethyl ester Formula: C16H27NO4S MolecularWeight: 329.45488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1CCCC=C1C(C)(C)O)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@H](CS[C@H]1CCCC=C1C(C)(C)O)NC(=O)C

InChI

InChI=1S/C16H27NO4S/c1-5-21-15(19)13(17-11(2)18)10-22-14-9-7-6-8-12(14)16(3,4)20/h8,13-14,20H,5-7,9-10H2,1-4H3,(H,17,18)/t13-,14-/m0/s1