methyl 1-[3-(4-oxidanyl-3,5-diphenyl-phenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[3-(4-oxidanyl-3,5-diphenyl-phenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[3-(4-hydroxy-3,5-diphenyl-phenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[3-[(4-hydroxy-3,5-diphenylphenyl)thio]-1-oxopropyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(4-hydroxy-3,5-diphenylphenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[3-[(4-hydroxy-3,5-diphenyl-phenyl)thio]propanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)CCSC2=CC(=C(C(=C2)C3=CC=CC=C3)O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CCCN1C(=O)CCSC2=CC(=C(C(=C2)C3=CC=CC=C3)O)C4=CC=CC=C4

InChI

InChI=1S/C27H27NO4S/c1-32-27(31)24-13-8-15-28(24)25(29)14-16-33-21-17-22(19-9-4-2-5-10-19)26(30)23(18-21)20-11-6-3-7-12-20/h2-7,9-12,17-18,24,30H,8,13-16H2,1H3