(3S)-5-ethoxy-3-[(4-methoxyphenyl)methylsulfanyl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-5-ethoxy-3-[(4-methoxyphenyl)methylsulfanyl]-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-ethoxy-3-[(4-methoxyphenyl)methylsulfanyl]-5-oxo-pentanoic acid CAS Name: (3S)-5-ethoxy-3-[(4-methoxyphenyl)methylthio]-5-oxopentanoic acid IUPAC Name: (3S)-5-ethoxy-3-[(4-methoxyphenyl)methylsulfanyl]-5-oxopentanoic acid Traditional Name: (3S)-5-ethoxy-5-keto-3-(p-anisylthio)valeric acid Formula: C15H20O5S MolecularWeight: 312.3813

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(=O)O)SCC1=CC=C(C=C1)OC

Isomeric SMILES

CCOC(=O)C[C@H](CC(=O)O)SCC1=CC=C(C=C1)OC

InChI

InChI=1S/C15H20O5S/c1-3-20-15(18)9-13(8-14(16)17)21-10-11-4-6-12(19-2)7-5-11/h4-7,13H,3,8-10H2,1-2H3,(H,16,17)/t13-/m0/s1