5-[6-[2-(4-aminophenyl)ethyl]-3-tert-butyl-2-(hydroxymethyl)-4-methyl-phenyl]sulfanyl-6-oxidanyl-2-propan-2-yl-2,3-dihydropyran-4-one

Systemtic Name: 5-[6-[2-(4-aminophenyl)ethyl]-3-tert-butyl-2-(hydroxymethyl)-4-methyl-phenyl]sulfanyl-6-oxidanyl-2-propan-2-yl-2,3-dihydropyran-4-one Openeye Name: 5-[6-[2-(4-aminophenyl)ethyl]-3-tert-butyl-2-(hydroxymethyl)-4-methyl-phenyl]sulfanyl-6-hydroxy-2-isopropyl-2,3-dihydropyran-4-one CAS Name: 5-[[6-[2-(4-aminophenyl)ethyl]-3-tert-butyl-2-(hydroxymethyl)-4-methylphenyl]thio]-6-hydroxy-2-propan-2-yl-2,3-dihydropyran-4-one IUPAC Name: 5-[6-[2-(4-aminophenyl)ethyl]-3-tert-butyl-2-(hydroxymethyl)-4-methylphenyl]sulfanyl-6-hydroxy-2-propan-2-yl-2,3-dihydropyran-4-one Traditional Name: 5-[[6-[2-(4-aminophenyl)ethyl]-3-tert-butyl-4-methyl-2-methylol-phenyl]thio]-6-hydroxy-2-isopropyl-2,3-dihydropyran-4-one Formula: C28H37NO4S MolecularWeight: 483.66268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(C)(C)C)CO)SC2=C(OC(CC2=O)C(C)C)O)CCC3=CC=C(C=C3)N

Isomeric SMILES

CC1=CC(=C(C(=C1C(C)(C)C)CO)SC2=C(OC(CC2=O)C(C)C)O)CCC3=CC=C(C=C3)N

InChI

InChI=1S/C28H37NO4S/c1-16(2)23-14-22(31)26(27(32)33-23)34-25-19(10-7-18-8-11-20(29)12-9-18)13-17(3)24(21(25)15-30)28(4,5)6/h8-9,11-13,16,23,30,32H,7,10,14-15,29H2,1-6H3