[(2E,6E)-12-(2-acetamidoethylsulfanyl)-3,7,11-trimethyl-10-oxidanylidene-dodeca-2,6-dienyl] ethanoate

Systemtic Name: [(2E,6E)-12-(2-acetamidoethylsulfanyl)-3,7,11-trimethyl-10-oxidanylidene-dodeca-2,6-dienyl] ethanoate Openeye Name: [(2E,6E)-12-(2-acetamidoethylsulfanyl)-3,7,11-trimethyl-10-oxo-dodeca-2,6-dienyl] acetate CAS Name: acetic acid [(2E,6E)-12-(2-acetamidoethylthio)-3,7,11-trimethyl-10-oxododeca-2,6-dienyl] ester IUPAC Name: [(2E,6E)-12-(2-acetamidoethylsulfanyl)-3,7,11-trimethyl-10-oxododeca-2,6-dienyl] acetate Traditional Name: acetic acid [(2E,6E)-12-(2-acetamidoethylthio)-10-keto-3,7,11-trimethyl-dodeca-2,6-dienyl] ester Formula: C21H35NO4S MolecularWeight: 397.5719

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCCNC(=O)C)C(=O)CCC(=CCCC(=CCOC(=O)C)C)C

Isomeric SMILES

CC(CSCCNC(=O)C)C(=O)CC/C(=C/CC/C(=C/COC(=O)C)/C)/C

InChI

InChI=1S/C21H35NO4S/c1-16(7-6-8-17(2)11-13-26-20(5)24)9-10-21(25)18(3)15-27-14-12-22-19(4)23/h7,11,18H,6,8-10,12-15H2,1-5H3,(H,22,23)/b16-7+,17-11+