6-[[3-ethoxycarbonyl-4-(4-fluorophenyl)-5-methyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-ethoxycarbonyl-4-(4-fluorophenyl)-5-methyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3-ethoxycarbonyl-4-(4-fluorophenyl)-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[3-ethoxycarbonyl-4-(4-fluorophenyl)-5-methyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3-ethoxycarbonyl-4-(4-fluorophenyl)-5-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-carbethoxy-4-(4-fluorophenyl)-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C22H22FNO5S MolecularWeight: 431.477183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C)NC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)F)C)NC(=O)C3CC=CCC3C(=O)O

InChI

InChI=1S/C22H22FNO5S/c1-3-29-22(28)18-17(13-8-10-14(23)11-9-13)12(2)30-20(18)24-19(25)15-6-4-5-7-16(15)21(26)27/h4-5,8-11,15-16H,3,6-7H2,1-2H3,(H,24,25)(H,26,27)