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

Systemtic Name: 2-[carboxy-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)carbamoyl]cyclohexene-1-carboxylic acid; thiophene Openeye Name: 2-[carboxy-(4-chloro-2-fluoro-5-methoxy-phenyl)carbamoyl]cyclohexene-1-carboxylic acid; thiophene CAS Name: 2-[(N-carboxy-4-chloro-2-fluoro-5-methoxyanilino)-oxomethyl]-1-cyclohexenecarboxylic acid; thiophene IUPAC Name: 2-[carboxy-(4-chloro-2-fluoro-5-methoxyphenyl)carbamoyl]cyclohexene-1-carboxylic acid; thiophene Traditional Name: 2-[carboxy-(4-chloro-2-fluoro-5-methoxy-phenyl)carbamoyl]cyclohexene-1-carboxylic acid; thiophene Formula: C20H19ClFNO6S MolecularWeight: 455.884363

Click to see the large picture

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

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

InChI

InChI=1S/C16H15ClFNO6.C4H4S/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;1-2-4-5-3-1/h6-7H,2-5H2,1H3,(H,21,22)(H,23,24);1-4H