3-[(6-tert-butyl-2,3-dihydro-1H-inden-5-yl)sulfanyl]-2-oxidanyl-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one

Systemtic Name: 3-[(6-tert-butyl-2,3-dihydro-1H-inden-5-yl)sulfanyl]-2-oxidanyl-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Openeye Name: 3-(6-tert-butylindan-5-yl)sulfanyl-2-hydroxy-6-[4-(3-pyridylmethoxy)phenyl]pyran-4-one CAS Name: 3-[(6-tert-butyl-2,3-dihydro-1H-inden-5-yl)thio]-2-hydroxy-6-[4-(3-pyridinylmethoxy)phenyl]-4-pyranone IUPAC Name: 3-[(6-tert-butyl-2,3-dihydro-1H-inden-5-yl)sulfanyl]-2-hydroxy-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Traditional Name: 3-[(6-tert-butylindan-5-yl)thio]-2-hydroxy-6-[4-(3-pyridylmethoxy)phenyl]pyran-4-one Formula: C30H29NO4S MolecularWeight: 499.62056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C2CCCC2=C1)SC3=C(OC(=CC3=O)C4=CC=C(C=C4)OCC5=CN=CC=C5)O

Isomeric SMILES

CC(C)(C)C1=C(C=C2CCCC2=C1)SC3=C(OC(=CC3=O)C4=CC=C(C=C4)OCC5=CN=CC=C5)O

InChI

InChI=1S/C30H29NO4S/c1-30(2,3)24-14-21-7-4-8-22(21)15-27(24)36-28-25(32)16-26(35-29(28)33)20-9-11-23(12-10-20)34-18-19-6-5-13-31-17-19/h5-6,9-17,33H,4,7-8,18H2,1-3H3