N-[5-tert-butyl-2-methyl-4-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]phenyl]-4-cyano-benzamide

Systemtic Name: N-[5-tert-butyl-2-methyl-4-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]phenyl]-4-cyano-benzamide Openeye Name: N-[5-tert-butyl-4-[(6-hydroxy-2-isopropyl-4-oxo-2-phenethyl-3H-pyran-5-yl)sulfanyl]-2-methyl-phenyl]-4-cyano-benzamide CAS Name: N-[5-tert-butyl-4-[(6-hydroxy-4-oxo-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)thio]-2-methylphenyl]-4-cyanobenzamide IUPAC Name: N-[5-tert-butyl-4-[(6-hydroxy-4-oxo-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]-2-methylphenyl]-4-cyanobenzamide Traditional Name: N-[5-tert-butyl-4-[(6-hydroxy-2-isopropyl-4-keto-2-phenethyl-3H-pyran-5-yl)thio]-2-methyl-phenyl]-4-cyano-benzamide Formula: C35H38N2O4S MolecularWeight: 582.75222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C(C)C)O)C(C)(C)C)NC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C(C)C)O)C(C)(C)C)NC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C35H38N2O4S/c1-22(2)35(17-16-24-10-8-7-9-11-24)20-29(38)31(33(40)41-35)42-30-18-23(3)28(19-27(30)34(4,5)6)37-32(39)26-14-12-25(21-36)13-15-26/h7-15,18-19,22,40H,16-17,20H2,1-6H3,(H,37,39)