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

Systemtic Name: 2-[carboxy-(4-chloranyl-2-fluoranyl-5-prop-2-enoxy-phenyl)carbamoyl]cyclohexene-1-carboxylic acid; thiophene Openeye Name: 2-[(5-allyloxy-4-chloro-2-fluoro-phenyl)-carboxy-carbamoyl]cyclohexene-1-carboxylic acid; thiophene CAS Name: 2-[(N-carboxy-4-chloro-2-fluoro-5-prop-2-enoxyanilino)-oxomethyl]-1-cyclohexenecarboxylic acid; thiophene IUPAC Name: 2-[carboxy-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)carbamoyl]cyclohexene-1-carboxylic acid; thiophene Traditional Name: 2-[(5-allyloxy-4-chloro-2-fluoro-phenyl)-carboxy-carbamoyl]cyclohexene-1-carboxylic acid; thiophene Formula: C22H21ClFNO6S MolecularWeight: 481.921643

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C(=C1)N(C(=O)C2=C(CCCC2)C(=O)O)C(=O)O)F)Cl.C1=CSC=C1

Isomeric SMILES

C=CCOC1=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/C18H17ClFNO6.C4H4S/c1-2-7-27-15-9-14(13(20)8-12(15)19)21(18(25)26)16(22)10-5-3-4-6-11(10)17(23)24;1-2-4-5-3-1/h2,8-9H,1,3-7H2,(H,23,24)(H,25,26);1-4H