3-[1-(5-chloranyl-2-oxidanyl-phenyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-(5-chloranyl-2-oxidanyl-phenyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(5-chloro-2-hydroxy-phenyl)-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(5-chloro-2-hydroxyphenyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(5-chloro-2-hydroxyphenyl)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(5-chloro-2-hydroxy-phenyl)-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C17H14ClNO3S MolecularWeight: 347.81596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC=C(N2C3=C(C=CC(=C3)Cl)O)CCC(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=CC=C(N2C3=C(C=CC(=C3)Cl)O)CCC(=O)O

InChI

InChI=1S/C17H14ClNO3S/c18-11-3-7-15(20)14(10-11)19-12(5-8-17(21)22)4-6-13(19)16-2-1-9-23-16/h1-4,6-7,9-10,20H,5,8H2,(H,21,22)