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

Systemtic Name: 5-(4-azanyl-2-cyclopentyl-5-methyl-phenyl)sulfanyl-2-[2-[2-(hydroxymethyl)thiophen-3-yl]ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-(4-amino-2-cyclopentyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2-[2-[2-(hydroxymethyl)-3-thienyl]ethyl]-2-isopropyl-3H-pyran-4-one CAS Name: 5-[(4-amino-2-cyclopentyl-5-methylphenyl)thio]-6-hydroxy-2-[2-[2-(hydroxymethyl)-3-thiophenyl]ethyl]-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-cyclopentyl-5-methylphenyl)sulfanyl-6-hydroxy-2-[2-[2-(hydroxymethyl)thiophen-3-yl]ethyl]-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(4-amino-2-cyclopentyl-5-methyl-phenyl)thio]-6-hydroxy-2-isopropyl-2-[2-(2-methylol-3-thienyl)ethyl]-3H-pyran-4-one Formula: C27H35NO4S2 MolecularWeight: 501.7011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO4S2/c1-16(2)27(10-8-19-9-11-33-24(19)15-29)14-22(30)25(26(31)32-27)34-23-12-17(3)21(28)13-20(23)18-6-4-5-7-18/h9,11-13,16,18,29,31H,4-8,10,14-15,28H2,1-3H3