2-[3-[5-(2-chloranyl-4-oxidanyl-phenyl)thiophen-2-yl]propanoylamino]benzoic acid

Systemtic Name: 2-[3-[5-(2-chloranyl-4-oxidanyl-phenyl)thiophen-2-yl]propanoylamino]benzoic acid Openeye Name: 2-[3-[5-(2-chloro-4-hydroxy-phenyl)-2-thienyl]propanoylamino]benzoic acid CAS Name: 2-[[3-[5-(2-chloro-4-hydroxyphenyl)-2-thiophenyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]propanoylamino]benzoic acid Traditional Name: 2-[3-[5-(2-chloro-4-hydroxy-phenyl)-2-thienyl]propanoylamino]benzoic acid Formula: C20H16ClNO4S MolecularWeight: 401.86334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC=C(S2)C3=C(C=C(C=C3)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC=C(S2)C3=C(C=C(C=C3)O)Cl

InChI

InChI=1S/C20H16ClNO4S/c21-16-11-12(23)5-8-14(16)18-9-6-13(27-18)7-10-19(24)22-17-4-2-1-3-15(17)20(25)26/h1-6,8-9,11,23H,7,10H2,(H,22,24)(H,25,26)