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

Systemtic Name: tert-butyl 4-[4-[6-oxidanyl-4-oxidanylidene-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]butanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[6-hydroxy-5-(2-isopropylphenyl)sulfanyl-4-oxo-2-phenyl-3H-pyran-2-yl]butanoyl]piperazine-1-carboxylate CAS Name: 4-[4-[6-hydroxy-4-oxo-2-phenyl-5-[(2-propan-2-ylphenyl)thio]-3H-pyran-2-yl]-1-oxobutyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[6-hydroxy-4-oxo-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-3H-pyran-2-yl]butanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[6-hydroxy-4-keto-5-(o-cumenylthio)-2-phenyl-3H-pyran-2-yl]butanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C33H42N2O6S MolecularWeight: 594.76138

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H42N2O6S/c1-23(2)25-14-9-10-15-27(25)42-29-26(36)22-33(40-30(29)38,24-12-7-6-8-13-24)17-11-16-28(37)34-18-20-35(21-19-34)31(39)41-32(3,4)5/h6-10,12-15,23,38H,11,16-22H2,1-5H3