3-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-[2-[2-(hydroxymethyl)thiophen-3-yl]ethyl]-6-propan-2-yl-oxane-2,4-dione

Systemtic Name: 3-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-[2-[2-(hydroxymethyl)thiophen-3-yl]ethyl]-6-propan-2-yl-oxane-2,4-dione Openeye Name: 3-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-[2-[2-(hydroxymethyl)-3-thienyl]ethyl]-6-isopropyl-tetrahydropyran-2,4-dione CAS Name: 3-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-[2-[2-(hydroxymethyl)-3-thiophenyl]ethyl]-6-propan-2-yloxane-2,4-dione IUPAC Name: 3-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-[2-[2-(hydroxymethyl)thiophen-3-yl]ethyl]-6-propan-2-yloxane-2,4-dione Traditional Name: 3-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-6-isopropyl-6-[2-(2-methylol-3-thienyl)ethyl]tetrahydropyran-2,4-quinone Formula: C26H35NO4S2 MolecularWeight: 489.6904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2C(=O)CC(OC2=O)(CCC3=C(SC=C3)CO)C(C)C)C(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2C(=O)CC(OC2=O)(CCC3=C(SC=C3)CO)C(C)C)C(C)(C)C)N

InChI

InChI=1S/C26H35NO4S2/c1-15(2)26(9-7-17-8-10-32-22(17)14-28)13-20(29)23(24(30)31-26)33-21-11-16(3)19(27)12-18(21)25(4,5)6/h8,10-12,15,23,28H,7,9,13-14,27H2,1-6H3