(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]ethanoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]ethanoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 2-[(4-tert-butylbenzoyl)amino]acetate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]acetic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CSC(=N2)C3=CSC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CSC(=N2)C3=CSC=C3

InChI

InChI=1S/C21H22N2O3S2/c1-21(2,3)16-6-4-14(5-7-16)19(25)22-10-18(24)26-11-17-13-28-20(23-17)15-8-9-27-12-15/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)