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

Systemtic Name: 3-[(4-chloranyl-2-fluoranyl-phenyl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-chloro-2-fluoro-phenyl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(4-chloro-2-fluorophenyl)methoxy]-5-[[[3-(1-imidazolyl)propylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-chloro-2-fluorophenyl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-chloro-2-fluoro-benzyl)oxy-5-(3-imidazol-1-ylpropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C18H17ClFN5O4S MolecularWeight: 453.875083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)F)COC2=NSC(=C2C(=O)O)NC(=O)NCCCN3C=CN=C3

Isomeric SMILES

C1=CC(=C(C=C1Cl)F)COC2=NSC(=C2C(=O)O)NC(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C18H17ClFN5O4S/c19-12-3-2-11(13(20)8-12)9-29-15-14(17(26)27)16(30-24-15)23-18(28)22-4-1-6-25-7-5-21-10-25/h2-3,5,7-8,10H,1,4,6,9H2,(H,26,27)(H2,22,23,28)