methyl 2-acetamido-3-[(6E,10E)-12-acetyloxy-2,6,10-trimethyl-3-oxidanylidene-dodeca-6,10-dienyl]sulfanyl-propanoate

Systemtic Name: methyl 2-acetamido-3-[(6E,10E)-12-acetyloxy-2,6,10-trimethyl-3-oxidanylidene-dodeca-6,10-dienyl]sulfanyl-propanoate Openeye Name: methyl 2-acetamido-3-[(6E,10E)-12-acetoxy-2,6,10-trimethyl-3-oxo-dodeca-6,10-dienyl]sulfanyl-propanoate CAS Name: 2-acetamido-3-[[(6E,10E)-12-acetyloxy-2,6,10-trimethyl-3-oxododeca-6,10-dienyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[(6E,10E)-12-acetyloxy-2,6,10-trimethyl-3-oxododeca-6,10-dienyl]sulfanylpropanoate Traditional Name: 2-acetamido-3-[[(6E,10E)-12-acetoxy-3-keto-2,6,10-trimethyl-dodeca-6,10-dienyl]thio]propionic acid methyl ester Formula: C23H37NO6S MolecularWeight: 455.60798

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC(C(=O)OC)NC(=O)C)C(=O)CCC(=CCCC(=CCOC(=O)C)C)C

Isomeric SMILES

CC(CSCC(C(=O)OC)NC(=O)C)C(=O)CC/C(=C/CC/C(=C/COC(=O)C)/C)/C

InChI

InChI=1S/C23H37NO6S/c1-16(8-7-9-17(2)12-13-30-20(5)26)10-11-22(27)18(3)14-31-15-21(23(28)29-6)24-19(4)25/h8,12,18,21H,7,9-11,13-15H2,1-6H3,(H,24,25)/b16-8+,17-12+