5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-cyclopentyl-2-[2-[2-(hydroxymethyl)thiophen-3-yl]ethyl]-6-oxidanyl-3H-pyran-4-one

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-cyclopentyl-2-[2-[2-(hydroxymethyl)thiophen-3-yl]ethyl]-6-oxidanyl-3H-pyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-cyclopentyl-6-hydroxy-2-[2-[2-(hydroxymethyl)-3-thienyl]ethyl]-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-2-cyclopentyl-6-hydroxy-2-[2-[2-(hydroxymethyl)-3-thiophenyl]ethyl]-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-2-cyclopentyl-6-hydroxy-2-[2-[2-(hydroxymethyl)thiophen-3-yl]ethyl]-3H-pyran-4-one Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-2-cyclopentyl-6-hydroxy-2-[2-(2-methylol-3-thienyl)ethyl]-3H-pyran-4-one Formula: C28H37NO4S2 MolecularWeight: 515.72768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=C(SC=C3)CO)C4CCCC4)O)C(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=C(SC=C3)CO)C4CCCC4)O)C(C)(C)C)N

InChI

InChI=1S/C28H37NO4S2/c1-17-13-23(20(14-21(17)29)27(2,3)4)35-25-22(31)15-28(33-26(25)32,19-7-5-6-8-19)11-9-18-10-12-34-24(18)16-30/h10,12-14,19,30,32H,5-9,11,15-16,29H2,1-4H3