3-[(3-fluoranyl-2,4-dimethyl-phenyl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(3-fluoranyl-2,4-dimethyl-phenyl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(3-fluoro-2,4-dimethyl-phenyl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(3-fluoro-2,4-dimethylphenyl)methoxy]-5-[[[3-(1-imidazolyl)propylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(3-fluoro-2,4-dimethylphenyl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(3-fluoro-2,4-dimethyl-benzyl)oxy-5-(3-imidazol-1-ylpropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C20H22FN5O4S MolecularWeight: 447.483183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCCN3C=CN=C3)C)F

Isomeric SMILES

CC1=C(C(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCCN3C=CN=C3)C)F

InChI

InChI=1S/C20H22FN5O4S/c1-12-4-5-14(13(2)16(12)21)10-30-17-15(19(27)28)18(31-25-17)24-20(29)23-6-3-8-26-9-7-22-11-26/h4-5,7,9,11H,3,6,8,10H2,1-2H3,(H,27,28)(H2,23,24,29)