2-[4-(4-ethylphenyl)-2-(3-methylbutanoylamino)-1,3-thiazol-5-yl]ethanoate

Systemtic Name: 2-[4-(4-ethylphenyl)-2-(3-methylbutanoylamino)-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[4-(4-ethylphenyl)-2-(3-methylbutanoylamino)thiazol-5-yl]acetate CAS Name: 2-[4-(4-ethylphenyl)-2-[(3-methyl-1-oxobutyl)amino]-5-thiazolyl]acetate IUPAC Name: 2-[4-(4-ethylphenyl)-2-(3-methylbutanoylamino)-1,3-thiazol-5-yl]acetate Traditional Name: 2-[4-(4-ethylphenyl)-2-(isovalerylamino)thiazol-5-yl]acetate Formula: C18H21N2O3S- MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CC(C)C)CC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CC(C)C)CC(=O)[O-]

InChI

InChI=1S/C18H22N2O3S/c1-4-12-5-7-13(8-6-12)17-14(10-16(22)23)24-18(20-17)19-15(21)9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,22,23)(H,19,20,21)/p-1