5-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-6-oxidanyl-2-phenethyl-2-[4-(pyridin-3-ylmethoxy)phenyl]-3H-pyran-4-one

Systemtic Name: 5-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-6-oxidanyl-2-phenethyl-2-[4-(pyridin-3-ylmethoxy)phenyl]-3H-pyran-4-one Openeye Name: 6-hydroxy-5-(2-isopropyl-5-methyl-phenyl)sulfanyl-2-phenethyl-2-[4-(3-pyridylmethoxy)phenyl]-3H-pyran-4-one CAS Name: 6-hydroxy-5-[(5-methyl-2-propan-2-ylphenyl)thio]-2-phenethyl-2-[4-(3-pyridinylmethoxy)phenyl]-3H-pyran-4-one IUPAC Name: 6-hydroxy-5-(5-methyl-2-propan-2-ylphenyl)sulfanyl-2-phenethyl-2-[4-(pyridin-3-ylmethoxy)phenyl]-3H-pyran-4-one Traditional Name: 6-hydroxy-5-[(2-isopropyl-5-methyl-phenyl)thio]-2-phenethyl-2-[4-(3-pyridylmethoxy)phenyl]-3H-pyran-4-one Formula: C35H35NO4S MolecularWeight: 565.7217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CN=CC=C5)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CN=CC=C5)O

InChI

InChI=1S/C35H35NO4S/c1-24(2)30-16-11-25(3)20-32(30)41-33-31(37)21-35(40-34(33)38,18-17-26-8-5-4-6-9-26)28-12-14-29(15-13-28)39-23-27-10-7-19-36-22-27/h4-16,19-20,22,24,38H,17-18,21,23H2,1-3H3