2-[2-(4-aminophenyl)ethyl]-5-[3-tert-butyl-4-(hydroxymethyl)-5-methyl-thiophen-2-yl]sulfanyl-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: 2-[2-(4-aminophenyl)ethyl]-5-[3-tert-butyl-4-(hydroxymethyl)-5-methyl-thiophen-2-yl]sulfanyl-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 2-[2-(4-aminophenyl)ethyl]-5-[[3-tert-butyl-4-(hydroxymethyl)-5-methyl-2-thienyl]sulfanyl]-6-hydroxy-2-isopropyl-3H-pyran-4-one CAS Name: 2-[2-(4-aminophenyl)ethyl]-5-[[3-tert-butyl-4-(hydroxymethyl)-5-methyl-2-thiophenyl]thio]-6-hydroxy-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 2-[2-(4-aminophenyl)ethyl]-5-[3-tert-butyl-4-(hydroxymethyl)-5-methylthiophen-2-yl]sulfanyl-6-hydroxy-2-propan-2-yl-3H-pyran-4-one Traditional Name: 2-[2-(4-aminophenyl)ethyl]-5-[(3-tert-butyl-5-methyl-4-methylol-2-thienyl)thio]-6-hydroxy-2-isopropyl-3H-pyran-4-one Formula: C26H35NO4S2 MolecularWeight: 489.6904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)N)C(C)C)O)C(C)(C)C)CO

Isomeric SMILES

CC1=C(C(=C(S1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)N)C(C)C)O)C(C)(C)C)CO

InChI

InChI=1S/C26H35NO4S2/c1-15(2)26(12-11-17-7-9-18(27)10-8-17)13-20(29)22(23(30)31-26)33-24-21(25(4,5)6)19(14-28)16(3)32-24/h7-10,15,28,30H,11-14,27H2,1-6H3