methyl (4Z,6E)-2-acetamido-9,13-dimethyl-9-oxidanyl-4-phenyl-3-sulfanyl-tetradeca-4,6,12-trienoate

Systemtic Name: methyl (4Z,6E)-2-acetamido-9,13-dimethyl-9-oxidanyl-4-phenyl-3-sulfanyl-tetradeca-4,6,12-trienoate Openeye Name: methyl (4Z,6E)-2-acetamido-9-hydroxy-9,13-dimethyl-4-phenyl-3-sulfanyl-tetradeca-4,6,12-trienoate CAS Name: (4Z,6E)-2-acetamido-9-hydroxy-3-mercapto-9,13-dimethyl-4-phenyltetradeca-4,6,12-trienoic acid methyl ester IUPAC Name: methyl (4Z,6E)-2-acetamido-9-hydroxy-9,13-dimethyl-4-phenyl-3-sulfanyltetradeca-4,6,12-trienoate Traditional Name: (4Z,6E)-2-acetamido-9-hydroxy-3-mercapto-9,13-dimethyl-4-phenyl-tetradeca-4,6,12-trienoic acid methyl ester Formula: C25H35NO4S MolecularWeight: 445.6147

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H35NO4S/c1-18(2)12-11-17-25(4,29)16-10-9-15-21(20-13-7-6-8-14-20)23(31)22(24(28)30-5)26-19(3)27/h6-10,12-15,22-23,29,31H,11,16-17H2,1-5H3,(H,26,27)/b10-9+,21-15-