4-[[5-ethyl-3-[(4-fluorophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid

Systemtic Name: 4-[[5-ethyl-3-[(4-fluorophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[5-ethyl-3-[(4-fluorophenyl)methylcarbamoyl]-2-thienyl]carbamoyl]benzoic acid CAS Name: 4-[[[5-ethyl-3-[[(4-fluorophenyl)methylamino]-oxomethyl]-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[5-ethyl-3-[(4-fluorophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[5-ethyl-3-[(4-fluorobenzyl)carbamoyl]-2-thienyl]carbamoyl]benzoic acid Formula: C22H19FN2O4S MolecularWeight: 426.460663

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H19FN2O4S/c1-2-17-11-18(20(27)24-12-13-3-9-16(23)10-4-13)21(30-17)25-19(26)14-5-7-15(8-6-14)22(28)29/h3-11H,2,12H2,1H3,(H,24,27)(H,25,26)(H,28,29)