5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-oxidanyl-2-propan-2-yl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-oxidanyl-2-propan-2-yl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2-isopropyl-2-[2-(3-thienyl)ethyl]-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-propan-2-yl-2-[2-(3-thiophenyl)ethyl]-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-propan-2-yl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-6-hydroxy-2-isopropyl-2-[2-(3-thienyl)ethyl]-3H-pyran-4-one Formula: C25H33NO3S2 MolecularWeight: 459.66442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CSC=C3)C(C)C)O)C(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CSC=C3)C(C)C)O)C(C)(C)C)N

InChI

InChI=1S/C25H33NO3S2/c1-15(2)25(9-7-17-8-10-30-14-17)13-20(27)22(23(28)29-25)31-21-11-16(3)19(26)12-18(21)24(4,5)6/h8,10-12,14-15,28H,7,9,13,26H2,1-6H3