3-[4-(5-thiophen-2-ylpent-3-ynylamino)phenyl]propanoic acid

Systemtic Name: 3-[4-(5-thiophen-2-ylpent-3-ynylamino)phenyl]propanoic acid Openeye Name: 3-[4-[5-(2-thienyl)pent-3-ynylamino]phenyl]propanoic acid CAS Name: 3-[4-(5-thiophen-2-ylpent-3-ynylamino)phenyl]propanoic acid IUPAC Name: 3-[4-(5-thiophen-2-ylpent-3-ynylamino)phenyl]propanoic acid Traditional Name: 3-[4-[5-(2-thienyl)pent-3-ynylamino]phenyl]propionic acid Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC#CCCNC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1=CSC(=C1)CC#CCCNC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C18H19NO2S/c20-18(21)12-9-15-7-10-16(11-8-15)19-13-3-1-2-5-17-6-4-14-22-17/h4,6-8,10-11,14,19H,3,5,9,12-13H2,(H,20,21)