[2-[(4-tert-butylphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioyloxy]propyl] 2,2-dimethylpropanoate

Systemtic Name: [2-[(4-tert-butylphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioyloxy]propyl] 2,2-dimethylpropanoate Openeye Name: [2-[(4-tert-butylphenyl)methyl]-3-[(4-hydroxy-3-methoxy-phenyl)methylcarbamothioyloxy]propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[(4-tert-butylphenyl)methyl]-3-[[(4-hydroxy-3-methoxyphenyl)methylamino]-sulfanylidenemethoxy]propyl] ester IUPAC Name: [2-[(4-tert-butylphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioyloxy]propyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-(4-tert-butylbenzyl)-3-(vanillylthiocarbamoyloxy)propyl] ester Formula: C28H39NO5S MolecularWeight: 501.67796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC(COC(=O)C(C)(C)C)COC(=S)NCC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC(COC(=O)C(C)(C)C)COC(=S)NCC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C28H39NO5S/c1-27(2,3)22-11-8-19(9-12-22)14-21(17-33-25(31)28(4,5)6)18-34-26(35)29-16-20-10-13-23(30)24(15-20)32-7/h8-13,15,21,30H,14,16-18H2,1-7H3,(H,29,35)