2-[6-(2-chlorophenyl)-6-cyano-3-(thiophen-3-ylmethoxy)cyclohexa-2,4-dien-1-yl]oxyethanoic acid

Systemtic Name: 2-[6-(2-chlorophenyl)-6-cyano-3-(thiophen-3-ylmethoxy)cyclohexa-2,4-dien-1-yl]oxyethanoic acid Openeye Name: 2-[6-(2-chlorophenyl)-6-cyano-3-(3-thienylmethoxy)cyclohexa-2,4-dien-1-yl]oxyacetic acid CAS Name: 2-[[6-(2-chlorophenyl)-6-cyano-3-(3-thiophenylmethoxy)-1-cyclohexa-2,4-dienyl]oxy]acetic acid IUPAC Name: 2-[6-(2-chlorophenyl)-6-cyano-3-(thiophen-3-ylmethoxy)cyclohexa-2,4-dien-1-yl]oxyacetic acid Traditional Name: 2-[6-(2-chlorophenyl)-6-cyano-3-(3-thenyloxy)cyclohexa-2,4-dien-1-yl]oxyacetic acid Formula: C20H16ClNO4S MolecularWeight: 401.86334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2(C=CC(=CC2OCC(=O)O)OCC3=CSC=C3)C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2(C=CC(=CC2OCC(=O)O)OCC3=CSC=C3)C#N)Cl

InChI

InChI=1S/C20H16ClNO4S/c21-17-4-2-1-3-16(17)20(13-22)7-5-15(9-18(20)26-11-19(23)24)25-10-14-6-8-27-12-14/h1-9,12,18H,10-11H2,(H,23,24)