(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-[(4-tert-butylphenyl)carbonylamino]ethanoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-[(4-tert-butylphenyl)carbonylamino]ethanoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-[(4-tert-butylbenzoyl)amino]acetate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-[(4-tert-butylbenzoyl)amino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]acetic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCCCC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCCCC(=O)C2=CC=CS2

InChI

InChI=1S/C21H25NO4S/c1-21(2,3)16-10-8-15(9-11-16)20(25)22-14-19(24)26-12-4-6-17(23)18-7-5-13-27-18/h5,7-11,13H,4,6,12,14H2,1-3H3,(H,22,25)