(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[(5-methylthiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[(5-methylthiophen-2-yl)carbonylamino]ethanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]acetic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(5-methylthiophene-2-carbonyl)amino]acetic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NCC(=O)OCC2=C(C=C(C=C2C)C(C)(C)C)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)NCC(=O)OCC2=C(C=C(C=C2C)C(C)(C)C)C

InChI

InChI=1S/C21H27NO3S/c1-13-9-16(21(4,5)6)10-14(2)17(13)12-25-19(23)11-22-20(24)18-8-7-15(3)26-18/h7-10H,11-12H2,1-6H3,(H,22,24)