methyl (4Z)-2-acetamido-7,11-dimethyl-7-oxidanyl-4-phenyl-3-sulfanyl-dodeca-4,10-dienoate

Systemtic Name: methyl (4Z)-2-acetamido-7,11-dimethyl-7-oxidanyl-4-phenyl-3-sulfanyl-dodeca-4,10-dienoate Openeye Name: methyl (4Z)-2-acetamido-7-hydroxy-7,11-dimethyl-4-phenyl-3-sulfanyl-dodeca-4,10-dienoate CAS Name: (4Z)-2-acetamido-7-hydroxy-3-mercapto-7,11-dimethyl-4-phenyldodeca-4,10-dienoic acid methyl ester IUPAC Name: methyl (4Z)-2-acetamido-7-hydroxy-7,11-dimethyl-4-phenyl-3-sulfanyldodeca-4,10-dienoate Traditional Name: (4Z)-2-acetamido-7-hydroxy-3-mercapto-7,11-dimethyl-4-phenyl-dodeca-4,10-dienoic acid methyl ester Formula: C23H33NO4S MolecularWeight: 419.57742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(CC=C(C1=CC=CC=C1)C(C(C(=O)OC)NC(=O)C)S)O)C

Isomeric SMILES

CC(=CCCC(C)(C/C=C(/C1=CC=CC=C1)\C(C(C(=O)OC)NC(=O)C)S)O)C

InChI

InChI=1S/C23H33NO4S/c1-16(2)10-9-14-23(4,27)15-13-19(18-11-7-6-8-12-18)21(29)20(22(26)28-5)24-17(3)25/h6-8,10-13,20-21,27,29H,9,14-15H2,1-5H3,(H,24,25)/b19-13-