5-[5-(hydroxymethyl)-2-propan-2-yl-thiophen-3-yl]sulfanyl-6-oxidanyl-2-propan-2-yl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one

Systemtic Name: 5-[5-(hydroxymethyl)-2-propan-2-yl-thiophen-3-yl]sulfanyl-6-oxidanyl-2-propan-2-yl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one Openeye Name: 6-hydroxy-5-[[5-(hydroxymethyl)-2-isopropyl-3-thienyl]sulfanyl]-2-isopropyl-2-[2-(3-thienyl)ethyl]-3H-pyran-4-one CAS Name: 6-hydroxy-5-[[5-(hydroxymethyl)-2-propan-2-yl-3-thiophenyl]thio]-2-propan-2-yl-2-[2-(3-thiophenyl)ethyl]-3H-pyran-4-one IUPAC Name: 6-hydroxy-5-[5-(hydroxymethyl)-2-propan-2-ylthiophen-3-yl]sulfanyl-2-propan-2-yl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one Traditional Name: 6-hydroxy-2-isopropyl-5-[(2-isopropyl-5-methylol-3-thienyl)thio]-2-[2-(3-thienyl)ethyl]-3H-pyran-4-one Formula: C22H28O4S3 MolecularWeight: 452.65032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(S1)CO)SC2=C(OC(CC2=O)(CCC3=CSC=C3)C(C)C)O

Isomeric SMILES

CC(C)C1=C(C=C(S1)CO)SC2=C(OC(CC2=O)(CCC3=CSC=C3)C(C)C)O

InChI

InChI=1S/C22H28O4S3/c1-13(2)19-18(9-16(11-23)28-19)29-20-17(24)10-22(14(3)4,26-21(20)25)7-5-15-6-8-27-12-15/h6,8-9,12-14,23,25H,5,7,10-11H2,1-4H3