3-[4-[(5-chloranylthiophen-2-yl)methylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[(5-chloranylthiophen-2-yl)methylamino]phenyl]propanoic acid Openeye Name: 3-[4-[(5-chloro-2-thienyl)methylamino]phenyl]propanoic acid CAS Name: 3-[4-[(5-chloro-2-thiophenyl)methylamino]phenyl]propanoic acid IUPAC Name: 3-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]propanoic acid Traditional Name: 3-[4-[(5-chloro-2-thienyl)methylamino]phenyl]propionic acid Formula: C14H14ClNO2S MolecularWeight: 295.78446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)NCC2=CC=C(S2)Cl

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)NCC2=CC=C(S2)Cl

InChI

InChI=1S/C14H14ClNO2S/c15-13-7-6-12(19-13)9-16-11-4-1-10(2-5-11)3-8-14(17)18/h1-2,4-7,16H,3,8-9H2,(H,17,18)