2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-carboxy-carbamoyl]cyclohexene-1-carboxylic acid; 2-chloranylthiophene

Systemtic Name: 2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-carboxy-carbamoyl]cyclohexene-1-carboxylic acid; 2-chloranylthiophene Openeye Name: 2-[carboxy-[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]carbamoyl]cyclohexene-1-carboxylic acid; 2-chlorothiophene CAS Name: 2-[(5-but-3-yn-2-yloxy-N-carboxy-4-chloro-2-fluoroanilino)-oxomethyl]-1-cyclohexenecarboxylic acid; 2-chlorothiophene IUPAC Name: 2-[(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-carboxycarbamoyl]cyclohexene-1-carboxylic acid; 2-chlorothiophene Traditional Name: 2-[carboxy-[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]carbamoyl]cyclohexene-1-carboxylic acid; 2-chlorothiophene Formula: C23H20Cl2FNO6S MolecularWeight: 528.377403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)OC1=C(C=C(C(=C1)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)O)F)Cl.C1=CSC(=C1)Cl

Isomeric SMILES

CC(C#C)OC1=C(C=C(C(=C1)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)O)F)Cl.C1=CSC(=C1)Cl

InChI

InChI=1S/C19H17ClFNO6.C4H3ClS/c1-3-10(2)28-16-9-15(14(21)8-13(16)20)22(19(26)27)17(23)11-6-4-5-7-12(11)18(24)25;5-4-2-1-3-6-4/h1,8-10H,4-7H2,2H3,(H,24,25)(H,26,27);1-3H