[4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyl]-1-methyl-pyrrol-2-yl] thiocyanate

Systemtic Name: [4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyl]-1-methyl-pyrrol-2-yl] thiocyanate Openeye Name: [4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyl]-1-methyl-pyrrol-2-yl] thiocyanate CAS Name: thiocyanic acid [4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropyl]-1-methyl-2-pyrrolyl] ester IUPAC Name: [4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]-1-methylpyrrol-2-yl] thiocyanate Traditional Name: thiocyanic acid [4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyl]-1-methyl-pyrrol-2-yl] ester Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)C2=CN(C(=C2)SC#N)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)C2=CN(C(=C2)SC#N)C

InChI

InChI=1S/C23H30N2O2S/c1-22(2,3)17-10-15(11-18(21(17)27)23(4,5)6)8-9-19(26)16-12-20(28-14-24)25(7)13-16/h10-13,27H,8-9H2,1-7H3