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

Systemtic Name: methyl 2-acetamido-3-[(6E,10E)-2,6,10-trimethyl-12-oxidanyl-3-oxidanylidene-dodeca-6,10-dienyl]sulfanyl-propanoate Openeye Name: methyl 2-acetamido-3-[(6E,10E)-12-hydroxy-2,6,10-trimethyl-3-oxo-dodeca-6,10-dienyl]sulfanyl-propanoate CAS Name: 2-acetamido-3-[[(6E,10E)-12-hydroxy-2,6,10-trimethyl-3-oxododeca-6,10-dienyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[(6E,10E)-12-hydroxy-2,6,10-trimethyl-3-oxododeca-6,10-dienyl]sulfanylpropanoate Traditional Name: 2-acetamido-3-[[(6E,10E)-12-hydroxy-3-keto-2,6,10-trimethyl-dodeca-6,10-dienyl]thio]propionic acid methyl ester Formula: C21H35NO5S MolecularWeight: 413.5713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO5S/c1-15(7-6-8-16(2)11-12-23)9-10-20(25)17(3)13-28-14-19(21(26)27-5)22-18(4)24/h7,11,17,19,23H,6,8-10,12-14H2,1-5H3,(H,22,24)/b15-7+,16-11+