(4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-thenoyl)pyrrolidine-2-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2CCCN2C(=O)C3=CC=CS3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2CCCN2C(=O)C3=CC=CS3)C)C(C)(C)C

InChI

InChI=1S/C23H29NO3S/c1-15-12-17(23(3,4)5)13-16(2)18(15)14-27-22(26)19-8-6-10-24(19)21(25)20-9-7-11-28-20/h7,9,11-13,19H,6,8,10,14H2,1-5H3