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

Systemtic Name: (3S)-5-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-5-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]-5-oxo-pentanoic acid CAS Name: (3S)-5-methoxy-3-[(4-methoxyphenyl)methylthio]-5-oxopentanoic acid IUPAC Name: (3S)-5-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]-5-oxopentanoic acid Traditional Name: (3S)-5-keto-5-methoxy-3-(p-anisylthio)valeric acid Formula: C14H18O5S MolecularWeight: 298.35472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC(CC(=O)O)CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CS[C@@H](CC(=O)O)CC(=O)OC

InChI

InChI=1S/C14H18O5S/c1-18-11-5-3-10(4-6-11)9-20-12(7-13(15)16)8-14(17)19-2/h3-6,12H,7-9H2,1-2H3,(H,15,16)/t12-/m0/s1