2-cyclopentyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-5-[(5-propan-2-yl-1,3-benzothiazol-6-yl)sulfanyl]-3H-pyran-4-one

Systemtic Name: 2-cyclopentyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-5-[(5-propan-2-yl-1,3-benzothiazol-6-yl)sulfanyl]-3H-pyran-4-one Openeye Name: 2-cyclopentyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-5-[(5-isopropyl-1,3-benzothiazol-6-yl)sulfanyl]-3H-pyran-4-one CAS Name: 2-cyclopentyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-5-[(5-propan-2-yl-1,3-benzothiazol-6-yl)thio]-3H-pyran-4-one IUPAC Name: 2-cyclopentyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-5-[(5-propan-2-yl-1,3-benzothiazol-6-yl)sulfanyl]-3H-pyran-4-one Traditional Name: 2-cyclopentyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-5-[(5-isopropyl-1,3-benzothiazol-6-yl)thio]-3H-pyran-4-one Formula: C28H31NO4S2 MolecularWeight: 509.68004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1SC3=C(OC(CC3=O)(CCC4=CC=C(C=C4)O)C5CCCC5)O)SC=N2

Isomeric SMILES

CC(C)C1=CC2=C(C=C1SC3=C(OC(CC3=O)(CCC4=CC=C(C=C4)O)C5CCCC5)O)SC=N2

InChI

InChI=1S/C28H31NO4S2/c1-17(2)21-13-22-25(34-16-29-22)14-24(21)35-26-23(31)15-28(33-27(26)32,19-5-3-4-6-19)12-11-18-7-9-20(30)10-8-18/h7-10,13-14,16-17,19,30,32H,3-6,11-12,15H2,1-2H3