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

Systemtic Name: 4-[4-(5-thiophen-2-ylpent-3-ynylamino)phenyl]butanoic acid Openeye Name: 4-[4-[5-(2-thienyl)pent-3-ynylamino]phenyl]butanoic acid CAS Name: 4-[4-(5-thiophen-2-ylpent-3-ynylamino)phenyl]butanoic acid IUPAC Name: 4-[4-(5-thiophen-2-ylpent-3-ynylamino)phenyl]butanoic acid Traditional Name: 4-[4-[5-(2-thienyl)pent-3-ynylamino]phenyl]butyric acid Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO2S/c21-19(22)9-4-6-16-10-12-17(13-11-16)20-14-3-1-2-7-18-8-5-15-23-18/h5,8,10-13,15,20H,3-4,6-7,9,14H2,(H,21,22)