ethyl 5-(5-ethoxy-4-methyl-5-oxidanylidene-4-phenyl-pentyl)sulfanyl-2-methyl-2-phenyl-pentanoate

Systemtic Name: ethyl 5-(5-ethoxy-4-methyl-5-oxidanylidene-4-phenyl-pentyl)sulfanyl-2-methyl-2-phenyl-pentanoate Openeye Name: ethyl 5-(5-ethoxy-4-methyl-5-oxo-4-phenyl-pentyl)sulfanyl-2-methyl-2-phenyl-pentanoate CAS Name: 5-[(5-ethoxy-4-methyl-5-oxo-4-phenylpentyl)thio]-2-methyl-2-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 5-(5-ethoxy-4-methyl-5-oxo-4-phenylpentyl)sulfanyl-2-methyl-2-phenylpentanoate Traditional Name: 5-[(5-ethoxy-5-keto-4-methyl-4-phenyl-pentyl)thio]-2-methyl-2-phenyl-valeric acid ethyl ester Formula: C28H38O4S MolecularWeight: 470.66392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CCCSCCCC(C)(C1=CC=CC=C1)C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C)(CCCSCCCC(C)(C1=CC=CC=C1)C(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C28H38O4S/c1-5-31-25(29)27(3,23-15-9-7-10-16-23)19-13-21-33-22-14-20-28(4,26(30)32-6-2)24-17-11-8-12-18-24/h7-12,15-18H,5-6,13-14,19-22H2,1-4H3