phenylsulfanyl 2-[(4-methoxyphenyl)methyl]-3-(5-methylthiophen-2-yl)-2-oxidanyl-propanoate

Systemtic Name: phenylsulfanyl 2-[(4-methoxyphenyl)methyl]-3-(5-methylthiophen-2-yl)-2-oxidanyl-propanoate Openeye Name: phenylsulfanyl 2-hydroxy-2-[(4-methoxyphenyl)methyl]-3-(5-methyl-2-thienyl)propanoate CAS Name: 2-hydroxy-2-[(4-methoxyphenyl)methyl]-3-(5-methyl-2-thiophenyl)propanoic acid (phenylthio) ester IUPAC Name: phenylsulfanyl 2-hydroxy-2-[(4-methoxyphenyl)methyl]-3-(5-methylthiophen-2-yl)propanoate Traditional Name: 2-hydroxy-3-(4-methoxyphenyl)-2-[(5-methyl-2-thienyl)methyl]propionic acid (phenylthio) ester Formula: C22H22O4S2 MolecularWeight: 414.53768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CC(CC2=CC=C(C=C2)OC)(C(=O)OSC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(S1)CC(CC2=CC=C(C=C2)OC)(C(=O)OSC3=CC=CC=C3)O

InChI

InChI=1S/C22H22O4S2/c1-16-8-13-20(27-16)15-22(24,14-17-9-11-18(25-2)12-10-17)21(23)26-28-19-6-4-3-5-7-19/h3-13,24H,14-15H2,1-2H3