4-[5-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]thiophen-2-yl]benzoic acid

Systemtic Name: 4-[5-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]thiophen-2-yl]benzoic acid Openeye Name: 4-[5-[2-(3-methylbutanoylamino)thiazol-4-yl]-2-thienyl]benzoic acid CAS Name: 4-[5-[2-[(3-methyl-1-oxobutyl)amino]-4-thiazolyl]-2-thiophenyl]benzoic acid IUPAC Name: 4-[5-[2-(3-methylbutanoylamino)-1,3-thiazol-4-yl]thiophen-2-yl]benzoic acid Traditional Name: 4-[5-[2-(isovalerylamino)thiazol-4-yl]-2-thienyl]benzoic acid Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC(=CS1)C2=CC=C(S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=NC(=CS1)C2=CC=C(S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H18N2O3S2/c1-11(2)9-17(22)21-19-20-14(10-25-19)16-8-7-15(26-16)12-3-5-13(6-4-12)18(23)24/h3-8,10-11H,9H2,1-2H3,(H,23,24)(H,20,21,22)