5-[(3-tert-butyl-1-benzothiophen-2-yl)sulfanyl]-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: 5-[(3-tert-butyl-1-benzothiophen-2-yl)sulfanyl]-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-(3-tert-butylbenzothiophen-2-yl)sulfanyl-6-hydroxy-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-2-isopropyl-3H-pyran-4-one CAS Name: 5-[(3-tert-butyl-1-benzothiophen-2-yl)thio]-6-hydroxy-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-[(3-tert-butyl-1-benzothiophen-2-yl)sulfanyl]-6-hydroxy-2-[2-[2-(hydroxymethyl)phenyl]ethyl]-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(3-tert-butylbenzothiophen-2-yl)thio]-6-hydroxy-2-isopropyl-2-[2-(2-methylolphenyl)ethyl]-3H-pyran-4-one Formula: C29H34O4S2 MolecularWeight: 510.70786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=O)C(=C(O1)O)SC2=C(C3=CC=CC=C3S2)C(C)(C)C)CCC4=CC=CC=C4CO

Isomeric SMILES

CC(C)C1(CC(=O)C(=C(O1)O)SC2=C(C3=CC=CC=C3S2)C(C)(C)C)CCC4=CC=CC=C4CO

InChI

InChI=1S/C29H34O4S2/c1-18(2)29(15-14-19-10-6-7-11-20(19)17-30)16-22(31)25(26(32)33-29)35-27-24(28(3,4)5)21-12-8-9-13-23(21)34-27/h6-13,18,30,32H,14-17H2,1-5H3