2-[carboxy-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)carbamoyl]cyclohexene-1-carboxylic acid; 2-chloranylthiophene

Systemtic Name: 2-[carboxy-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)carbamoyl]cyclohexene-1-carboxylic acid; 2-chloranylthiophene Openeye Name: 2-[carboxy-(4-chloro-2-fluoro-5-methoxy-phenyl)carbamoyl]cyclohexene-1-carboxylic acid; 2-chlorothiophene CAS Name: 2-[(N-carboxy-4-chloro-2-fluoro-5-methoxyanilino)-oxomethyl]-1-cyclohexenecarboxylic acid; 2-chlorothiophene IUPAC Name: 2-[carboxy-(4-chloro-2-fluoro-5-methoxyphenyl)carbamoyl]cyclohexene-1-carboxylic acid; 2-chlorothiophene Traditional Name: 2-[carboxy-(4-chloro-2-fluoro-5-methoxy-phenyl)carbamoyl]cyclohexene-1-carboxylic acid; 2-chlorothiophene Formula: C20H18Cl2FNO6S MolecularWeight: 490.329423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C16H15ClFNO6.C4H3ClS/c1-25-13-7-12(11(18)6-10(13)17)19(16(23)24)14(20)8-4-2-3-5-9(8)15(21)22;5-4-2-1-3-6-4/h6-7H,2-5H2,1H3,(H,21,22)(H,23,24);1-3H