methyl (7E,9E)-20-[3-[(3-ethoxy-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-2-oxidanyl-icosa-7,9-dienoate

Systemtic Name: methyl (7E,9E)-20-[3-[(3-ethoxy-3-oxidanylidene-propanoyl)amino]phenyl]sulfanyl-2-oxidanyl-icosa-7,9-dienoate Openeye Name: methyl (7E,9E)-20-[3-[(3-ethoxy-3-oxo-propanoyl)amino]phenyl]sulfanyl-2-hydroxy-icosa-7,9-dienoate CAS Name: (7E,9E)-20-[[3-[(3-ethoxy-1,3-dioxopropyl)amino]phenyl]thio]-2-hydroxyeicosa-7,9-dienoic acid methyl ester IUPAC Name: methyl (7E,9E)-20-[3-[(3-ethoxy-3-oxopropanoyl)amino]phenyl]sulfanyl-2-hydroxyicosa-7,9-dienoate Traditional Name: (7E,9E)-20-[[3-[(3-ethoxy-3-keto-propanoyl)amino]phenyl]thio]-2-hydroxy-eicosa-7,9-dienoic acid methyl ester Formula: C32H49NO6S MolecularWeight: 575.79956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)NC1=CC(=CC=C1)SCCCCCCCCCCC=CC=CCCCCC(C(=O)OC)O

Isomeric SMILES

CCOC(=O)CC(=O)NC1=CC(=CC=C1)SCCCCCCCCCC/C=C/C=C/CCCCC(C(=O)OC)O

InChI

InChI=1S/C32H49NO6S/c1-3-39-31(36)26-30(35)33-27-21-20-22-28(25-27)40-24-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-23-29(34)32(37)38-2/h6,8,10,12,20-22,25,29,34H,3-5,7,9,11,13-19,23-24,26H2,1-2H3,(H,33,35)/b8-6+,12-10+