2-[[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]carbonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]carbonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carbonyl]-methyl-amino]acetic acid CAS Name: 2-[[[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-thiophenyl]-oxomethyl]-methylamino]acetic acid IUPAC Name: 2-[[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carbonyl]-methylamino]acetic acid Traditional Name: 2-[[5-(4-fluorophenyl)-4-(4-mesylphenyl)thiophene-2-carbonyl]-methyl-amino]acetic acid Formula: C21H18FNO5S2 MolecularWeight: 447.499723

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)C1=CC(=C(S1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN(CC(=O)O)C(=O)C1=CC(=C(S1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H18FNO5S2/c1-23(12-19(24)25)21(26)18-11-17(13-5-9-16(10-6-13)30(2,27)28)20(29-18)14-3-7-15(22)8-4-14/h3-11H,12H2,1-2H3,(H,24,25)