2-[3-[(4-methoxyphenyl)methylsulfanyl]thian-4-yl]ethanoic acid

Systemtic Name: 2-[3-[(4-methoxyphenyl)methylsulfanyl]thian-4-yl]ethanoic acid Openeye Name: 2-[3-[(4-methoxyphenyl)methylsulfanyl]tetrahydrothiopyran-4-yl]acetic acid CAS Name: 2-[3-[(4-methoxyphenyl)methylthio]-4-thianyl]acetic acid IUPAC Name: 2-[3-[(4-methoxyphenyl)methylsulfanyl]thian-4-yl]acetic acid Traditional Name: 2-[3-(p-anisylthio)tetrahydrothiopyran-4-yl]acetic acid Formula: C15H20O3S2 MolecularWeight: 312.4475

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CSCCC2CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CSCCC2CC(=O)O

InChI

InChI=1S/C15H20O3S2/c1-18-13-4-2-11(3-5-13)9-20-14-10-19-7-6-12(14)8-15(16)17/h2-5,12,14H,6-10H2,1H3,(H,16,17)