[2-tert-butyl-4-[(2-methylthiophen-3-yl)amino]phenyl] 3,3-dimethylbutanoate

Systemtic Name: [2-tert-butyl-4-[(2-methylthiophen-3-yl)amino]phenyl] 3,3-dimethylbutanoate Openeye Name: [2-tert-butyl-4-[(2-methyl-3-thienyl)amino]phenyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-tert-butyl-4-[(2-methyl-3-thiophenyl)amino]phenyl] ester IUPAC Name: [2-tert-butyl-4-[(2-methylthiophen-3-yl)amino]phenyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-tert-butyl-4-[(2-methyl-3-thienyl)amino]phenyl] ester Formula: C21H29NO2S MolecularWeight: 359.52546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CS1)NC2=CC(=C(C=C2)OC(=O)CC(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=C(C=CS1)NC2=CC(=C(C=C2)OC(=O)CC(C)(C)C)C(C)(C)C

InChI

InChI=1S/C21H29NO2S/c1-14-17(10-11-25-14)22-15-8-9-18(16(12-15)21(5,6)7)24-19(23)13-20(2,3)4/h8-12,22H,13H2,1-7H3