ethyl 4-[4-(5-thiophen-2-ylpent-3-ynylamino)phenyl]butanoate

Systemtic Name: ethyl 4-[4-(5-thiophen-2-ylpent-3-ynylamino)phenyl]butanoate Openeye Name: ethyl 4-[4-[5-(2-thienyl)pent-3-ynylamino]phenyl]butanoate CAS Name: 4-[4-(5-thiophen-2-ylpent-3-ynylamino)phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-thiophen-2-ylpent-3-ynylamino)phenyl]butanoate Traditional Name: 4-[4-[5-(2-thienyl)pent-3-ynylamino]phenyl]butyric acid ethyl ester Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=CC=C(C=C1)NCCC#CCC2=CC=CS2

Isomeric SMILES

CCOC(=O)CCCC1=CC=C(C=C1)NCCC#CCC2=CC=CS2

InChI

InChI=1S/C21H25NO2S/c1-2-24-21(23)11-6-8-18-12-14-19(15-13-18)22-16-5-3-4-9-20-10-7-17-25-20/h7,10,12-15,17,22H,2,5-6,8-9,11,16H2,1H3