(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=C(C=C2NC(=O)C3=CC=CS3)OC)OC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=C(C=C2NC(=O)C3=CC=CS3)OC)OC)C)C(C)(C)C

InChI

InChI=1S/C27H31NO5S/c1-16-11-18(27(3,4)5)12-17(2)20(16)15-33-26(30)19-13-22(31-6)23(32-7)14-21(19)28-25(29)24-9-8-10-34-24/h8-14H,15H2,1-7H3,(H,28,29)