ethyl 5-(6-ethanoyl-2-propyl-3-sulfanyl-phenoxy)pentanoate

Systemtic Name: ethyl 5-(6-ethanoyl-2-propyl-3-sulfanyl-phenoxy)pentanoate Openeye Name: ethyl 5-(6-acetyl-2-propyl-3-sulfanyl-phenoxy)pentanoate CAS Name: 5-(6-acetyl-3-mercapto-2-propylphenoxy)pentanoic acid ethyl ester IUPAC Name: ethyl 5-(6-acetyl-2-propyl-3-sulfanylphenoxy)pentanoate Traditional Name: 5-(6-acetyl-3-mercapto-2-propyl-phenoxy)valeric acid ethyl ester Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCCCCC(=O)OCC)C(=O)C)S

Isomeric SMILES

CCCC1=C(C=CC(=C1OCCCCC(=O)OCC)C(=O)C)S

InChI

InChI=1S/C18H26O4S/c1-4-8-15-16(23)11-10-14(13(3)19)18(15)22-12-7-6-9-17(20)21-5-2/h10-11,23H,4-9,12H2,1-3H3