ethyl 7-(6-ethanoyl-2-propyl-3-sulfanyl-phenoxy)heptanoate

Systemtic Name: ethyl 7-(6-ethanoyl-2-propyl-3-sulfanyl-phenoxy)heptanoate Openeye Name: ethyl 7-(6-acetyl-2-propyl-3-sulfanyl-phenoxy)heptanoate CAS Name: 7-(6-acetyl-3-mercapto-2-propylphenoxy)heptanoic acid ethyl ester IUPAC Name: ethyl 7-(6-acetyl-2-propyl-3-sulfanylphenoxy)heptanoate Traditional Name: 7-(6-acetyl-3-mercapto-2-propyl-phenoxy)enanthic acid ethyl ester Formula: C20H30O4S MolecularWeight: 366.5148

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCCCCCCC(=O)OCC)C(=O)C)S

Isomeric SMILES

CCCC1=C(C=CC(=C1OCCCCCCC(=O)OCC)C(=O)C)S

InChI

InChI=1S/C20H30O4S/c1-4-10-17-18(25)13-12-16(15(3)21)20(17)24-14-9-7-6-8-11-19(22)23-5-2/h12-13,25H,4-11,14H2,1-3H3