3-(2-cyclopropyl-5-propan-2-yl-phenyl)-4-oxidanyl-2-[4-(pyridin-3-ylmethoxy)phenyl]-5-sulfanylidene-2H-pyran-6-one

Systemtic Name: 3-(2-cyclopropyl-5-propan-2-yl-phenyl)-4-oxidanyl-2-[4-(pyridin-3-ylmethoxy)phenyl]-5-sulfanylidene-2H-pyran-6-one Openeye Name: 3-(2-cyclopropyl-5-isopropyl-phenyl)-4-hydroxy-2-[4-(3-pyridylmethoxy)phenyl]-5-thioxo-2H-pyran-6-one CAS Name: 3-(2-cyclopropyl-5-propan-2-ylphenyl)-4-hydroxy-2-[4-(3-pyridinylmethoxy)phenyl]-5-sulfanylidene-2H-pyran-6-one IUPAC Name: 3-(2-cyclopropyl-5-propan-2-ylphenyl)-4-hydroxy-2-[4-(pyridin-3-ylmethoxy)phenyl]-5-sulfanylidene-2H-pyran-6-one Traditional Name: 3-(2-cyclopropyl-5-isopropyl-phenyl)-4-hydroxy-2-[4-(3-pyridylmethoxy)phenyl]-5-thioxo-2H-pyran-6-one Formula: C29H27NO4S MolecularWeight: 485.59398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)C2CC2)C3=C(C(=S)C(=O)OC3C4=CC=C(C=C4)OCC5=CN=CC=C5)O

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)C2CC2)C3=C(C(=S)C(=O)OC3C4=CC=C(C=C4)OCC5=CN=CC=C5)O

InChI

InChI=1S/C29H27NO4S/c1-17(2)21-9-12-23(19-5-6-19)24(14-21)25-26(31)28(35)29(32)34-27(25)20-7-10-22(11-8-20)33-16-18-4-3-13-30-15-18/h3-4,7-15,17,19,27,31H,5-6,16H2,1-2H3