2-[2-(butanoylamino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-(butanoylamino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(butanoylamino)-4-(4-isopropylphenyl)thiazol-5-yl]acetic acid CAS Name: 2-[2-(1-oxobutylamino)-4-(4-propan-2-ylphenyl)-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(butanoylamino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-(2-butyramido-4-p-cumenyl-thiazol-5-yl)acetic acid Formula: C18H22N2O3S MolecularWeight: 346.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC(=C(S1)CC(=O)O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCC(=O)NC1=NC(=C(S1)CC(=O)O)C2=CC=C(C=C2)C(C)C

InChI

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