3-[1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[2-(4-fluoroanilino)-2-oxo-ethyl]-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[2-(4-fluoroanilino)-2-oxoethyl]-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-(4-fluoroanilino)-2-oxoethyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[2-(4-fluoroanilino)-2-keto-ethyl]-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C19H17FN2O3S MolecularWeight: 372.413283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC=C(N2CC(=O)NC3=CC=C(C=C3)F)CCC(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=CC=C(N2CC(=O)NC3=CC=C(C=C3)F)CCC(=O)O

InChI

InChI=1S/C19H17FN2O3S/c20-13-3-5-14(6-4-13)21-18(23)12-22-15(8-10-19(24)25)7-9-16(22)17-2-1-11-26-17/h1-7,9,11H,8,10,12H2,(H,21,23)(H,24,25)