3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-5-[(3-imidazol-1-yl-2-methyl-propyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-5-[(3-imidazol-1-yl-2-methyl-propyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(2-fluoro-4-methyl-phenyl)methoxy]-5-[(3-imidazol-1-yl-2-methyl-propyl)carbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-[[[[3-(1-imidazolyl)-2-methylpropyl]amino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-[(3-imidazol-1-yl-2-methylpropyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(2-fluoro-4-methyl-benzyl)oxy-5-[(3-imidazol-1-yl-2-methyl-propyl)carbamoylamino]isothiazole-4-carboxylic acid Formula: C20H22FN5O4S MolecularWeight: 447.483183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCC(C)CN3C=CN=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCC(C)CN3C=CN=C3)F

InChI

InChI=1S/C20H22FN5O4S/c1-12-3-4-14(15(21)7-12)10-30-17-16(19(27)28)18(31-25-17)24-20(29)23-8-13(2)9-26-6-5-22-11-26/h3-7,11,13H,8-10H2,1-2H3,(H,27,28)(H2,23,24,29)