[4-[[2-[2-(4-aminophenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-5-tert-butyl-2-methyl-phenyl] 2-thiophen-2-ylbenzenesulfonate

Systemtic Name: [4-[[2-[2-(4-aminophenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-5-tert-butyl-2-methyl-phenyl] 2-thiophen-2-ylbenzenesulfonate Openeye Name: [4-[[2-[2-(4-aminophenyl)ethyl]-6-hydroxy-2-isopropyl-4-oxo-3H-pyran-5-yl]sulfanyl]-5-tert-butyl-2-methyl-phenyl] 2-(2-thienyl)benzenesulfonate CAS Name: 2-thiophen-2-ylbenzenesulfonic acid [4-[[2-[2-(4-aminophenyl)ethyl]-6-hydroxy-4-oxo-2-propan-2-yl-3H-pyran-5-yl]thio]-5-tert-butyl-2-methylphenyl] ester IUPAC Name: [4-[[2-[2-(4-aminophenyl)ethyl]-6-hydroxy-4-oxo-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-5-tert-butyl-2-methylphenyl] 2-thiophen-2-ylbenzenesulfonate Traditional Name: 2-(2-thienyl)benzenesulfonic acid [4-[[2-[2-(4-aminophenyl)ethyl]-6-hydroxy-2-isopropyl-4-keto-3H-pyran-5-yl]thio]-5-tert-butyl-2-methyl-phenyl] ester Formula: C37H41NO6S3 MolecularWeight: 691.91954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)N)C(C)C)O)C(C)(C)C)OS(=O)(=O)C4=CC=CC=C4C5=CC=CS5

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)N)C(C)C)O)C(C)(C)C)OS(=O)(=O)C4=CC=CC=C4C5=CC=CS5

InChI

InChI=1S/C37H41NO6S3/c1-23(2)37(18-17-25-13-15-26(38)16-14-25)22-29(39)34(35(40)43-37)46-32-20-24(3)30(21-28(32)36(4,5)6)44-47(41,42)33-12-8-7-10-27(33)31-11-9-19-45-31/h7-16,19-21,23,40H,17-18,22,38H2,1-6H3