2-[4-(4-tert-butylphenyl)-2-(propanoylamino)-1,3-thiazol-5-yl]ethanoate

Systemtic Name: 2-[4-(4-tert-butylphenyl)-2-(propanoylamino)-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[4-(4-tert-butylphenyl)-2-(propanoylamino)thiazol-5-yl]acetate CAS Name: 2-[4-(4-tert-butylphenyl)-2-(1-oxopropylamino)-5-thiazolyl]acetate IUPAC Name: 2-[4-(4-tert-butylphenyl)-2-(propanoylamino)-1,3-thiazol-5-yl]acetate Traditional Name: 2-[4-(4-tert-butylphenyl)-2-propionamido-thiazol-5-yl]acetate Formula: C18H21N2O3S- MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC(=C(S1)CC(=O)[O-])C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCC(=O)NC1=NC(=C(S1)CC(=O)[O-])C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H22N2O3S/c1-5-14(21)19-17-20-16(13(24-17)10-15(22)23)11-6-8-12(9-7-11)18(2,3)4/h6-9H,5,10H2,1-4H3,(H,22,23)(H,19,20,21)/p-1