methyl (E,12R)-12-acetamido-13-ethanoylsulfanyl-tridec-10-enoate

Systemtic Name: methyl (E,12R)-12-acetamido-13-ethanoylsulfanyl-tridec-10-enoate Openeye Name: methyl (E,12R)-12-acetamido-13-acetylsulfanyl-tridec-10-enoate CAS Name: (E,12R)-12-acetamido-13-(acetylthio)-10-tridecenoic acid methyl ester IUPAC Name: methyl (E,12R)-12-acetamido-13-acetylsulfanyltridec-10-enoate Traditional Name: (E,12R)-12-acetamido-13-(acetylthio)tridec-10-enoic acid methyl ester Formula: C18H31NO4S MolecularWeight: 357.50804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)C)C=CCCCCCCCCC(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CSC(=O)C)/C=C/CCCCCCCCC(=O)OC

InChI

InChI=1S/C18H31NO4S/c1-15(20)19-17(14-24-16(2)21)12-10-8-6-4-5-7-9-11-13-18(22)23-3/h10,12,17H,4-9,11,13-14H2,1-3H3,(H,19,20)/b12-10+/t17-/m1/s1