tert-butyl 4-[3-[6-oxidanyl-4-oxidanylidene-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[6-oxidanyl-4-oxidanylidene-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[6-hydroxy-5-(2-isopropylphenyl)sulfanyl-4-oxo-2-phenyl-3H-pyran-2-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[6-hydroxy-4-oxo-2-phenyl-5-[(2-propan-2-ylphenyl)thio]-3H-pyran-2-yl]-1-oxopropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[6-hydroxy-4-oxo-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[6-hydroxy-4-keto-5-(o-cumenylthio)-2-phenyl-3H-pyran-2-yl]propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C32H40N2O6S MolecularWeight: 580.7348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(OC(CC2=O)(CCC(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(OC(CC2=O)(CCC(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=CC=C4)O

InChI

InChI=1S/C32H40N2O6S/c1-22(2)24-13-9-10-14-26(24)41-28-25(35)21-32(39-29(28)37,23-11-7-6-8-12-23)16-15-27(36)33-17-19-34(20-18-33)30(38)40-31(3,4)5/h6-14,22,37H,15-21H2,1-5H3