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

Systemtic Name: 4-[5-[2-(2-ethylbutanoylamino)-1,3-thiazol-4-yl]thiophen-2-yl]benzoic acid Openeye Name: 4-[5-[2-(2-ethylbutanoylamino)thiazol-4-yl]-2-thienyl]benzoic acid CAS Name: 4-[5-[2-[(2-ethyl-1-oxobutyl)amino]-4-thiazolyl]-2-thiophenyl]benzoic acid IUPAC Name: 4-[5-[2-(2-ethylbutanoylamino)-1,3-thiazol-4-yl]thiophen-2-yl]benzoic acid Traditional Name: 4-[5-[2-(2-ethylbutanoylamino)thiazol-4-yl]-2-thienyl]benzoic acid Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S2/c1-3-12(4-2)18(23)22-20-21-15(11-26-20)17-10-9-16(27-17)13-5-7-14(8-6-13)19(24)25/h5-12H,3-4H2,1-2H3,(H,24,25)(H,21,22,23)