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

Systemtic Name: 2-[carboxy-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)carbamoyl]cyclohexene-1-carboxylic acid; 2-methylthiophene Openeye Name: 2-[carboxy-(4-chloro-2-fluoro-5-methoxy-phenyl)carbamoyl]cyclohexene-1-carboxylic acid; 2-methylthiophene CAS Name: 2-[(N-carboxy-4-chloro-2-fluoro-5-methoxyanilino)-oxomethyl]-1-cyclohexenecarboxylic acid; 2-methylthiophene IUPAC Name: 2-[carboxy-(4-chloro-2-fluoro-5-methoxyphenyl)carbamoyl]cyclohexene-1-carboxylic acid; 2-methylthiophene Traditional Name: 2-[carboxy-(4-chloro-2-fluoro-5-methoxy-phenyl)carbamoyl]cyclohexene-1-carboxylic acid; 2-methylthiophene Formula: C21H21ClFNO6S MolecularWeight: 469.910943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CS1.COC1=C(C=C(C(=C1)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)O)F)Cl

Isomeric SMILES

CC1=CC=CS1.COC1=C(C=C(C(=C1)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)O)F)Cl

InChI

InChI=1S/C16H15ClFNO6.C5H6S/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;1-5-3-2-4-6-5/h6-7H,2-5H2,1H3,(H,21,22)(H,23,24);2-4H,1H3