5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-oxidanyl-2-propan-2-yl-2-(2-pyridin-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-pyridin-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-pyridyl)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-pyridinyl)ethyl]-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-propan-2-yl-2-(2-pyridin-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-pyridyl)ethyl]-3H-pyran-4-one Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O3S/c1-16(2)26(10-9-18-8-7-11-28-15-18)14-21(29)23(24(30)31-26)32-22-12-17(3)20(27)13-19(22)25(4,5)6/h7-8,11-13,15-16,30H,9-10,14,27H2,1-6H3