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

Systemtic Name: tert-butyl 4-[5-[6-oxidanyl-4-oxidanylidene-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]pentanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-[6-hydroxy-5-(2-isopropylphenyl)sulfanyl-4-oxo-2-phenyl-3H-pyran-2-yl]pentanoyl]piperazine-1-carboxylate CAS Name: 4-[5-[6-hydroxy-4-oxo-2-phenyl-5-[(2-propan-2-ylphenyl)thio]-3H-pyran-2-yl]-1-oxopentyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[6-hydroxy-4-oxo-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]pentanoyl]piperazine-1-carboxylate Traditional Name: 4-[5-[6-hydroxy-4-keto-5-(o-cumenylthio)-2-phenyl-3H-pyran-2-yl]pentanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C34H44N2O6S MolecularWeight: 608.78796

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H44N2O6S/c1-24(2)26-15-9-10-16-28(26)43-30-27(37)23-34(41-31(30)39,25-13-7-6-8-14-25)18-12-11-17-29(38)35-19-21-36(22-20-35)32(40)42-33(3,4)5/h6-10,13-16,24,39H,11-12,17-23H2,1-5H3