3-(3,4-dimethoxyphenyl)-3-(2-hydroxyethylsulfanyl)-1-thiophen-2-yl-propan-1-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-3-(2-hydroxyethylsulfanyl)-1-thiophen-2-yl-propan-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)-3-(2-hydroxyethylsulfanyl)-1-(2-thienyl)propan-1-one CAS Name: 3-(3,4-dimethoxyphenyl)-3-(2-hydroxyethylthio)-1-thiophen-2-yl-1-propanone IUPAC Name: 3-(3,4-dimethoxyphenyl)-3-(2-hydroxyethylsulfanyl)-1-thiophen-2-ylpropan-1-one Traditional Name: 3-(3,4-dimethoxyphenyl)-3-(2-hydroxyethylthio)-1-(2-thienyl)propan-1-one Formula: C17H20O4S2 MolecularWeight: 352.4683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)C2=CC=CS2)SCCO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)C2=CC=CS2)SCCO)OC

InChI

InChI=1S/C17H20O4S2/c1-20-14-6-5-12(10-15(14)21-2)17(23-9-7-18)11-13(19)16-4-3-8-22-16/h3-6,8,10,17-18H,7,9,11H2,1-2H3