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

Systemtic Name: 3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(2-fluoro-4-methyl-phenyl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-[[[3-(1-imidazolyl)propylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(2-fluoro-4-methyl-benzyl)oxy-5-(3-imidazol-1-ylpropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C19H20FN5O4S MolecularWeight: 433.456603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN5O4S/c1-12-3-4-13(14(20)9-12)10-29-16-15(18(26)27)17(30-24-16)23-19(28)22-5-2-7-25-8-6-21-11-25/h3-4,6,8-9,11H,2,5,7,10H2,1H3,(H,26,27)(H2,22,23,28)