S-[4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanoyl]-1-(phenylmethyl)pyrrol-2-yl] ethanethioate

Systemtic Name: S-[4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanoyl]-1-(phenylmethyl)pyrrol-2-yl] ethanethioate Openeye Name: S-[1-benzyl-4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetyl]pyrrol-2-yl] ethanethioate CAS Name: ethanethioic acid S-[4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxoethyl]-1-(phenylmethyl)-2-pyrrolyl] ester IUPAC Name: S-[1-benzyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)acetyl]pyrrol-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-benzyl-4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetyl]pyrrol-2-yl] ester Formula: C29H35NO3S MolecularWeight: 477.6581

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC(=CN1CC2=CC=CC=C2)C(=O)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(=O)SC1=CC(=CN1CC2=CC=CC=C2)C(=O)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C29H35NO3S/c1-19(31)34-26-16-22(18-30(26)17-20-11-9-8-10-12-20)25(32)15-21-13-23(28(2,3)4)27(33)24(14-21)29(5,6)7/h8-14,16,18,33H,15,17H2,1-7H3