[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propionic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CCC2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CCC2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C21H23N3O4S/c1-2-3-4-15-5-7-17(8-6-15)22-18(25)13-27-20(26)10-9-19-23-21(24-28-19)16-11-12-29-14-16/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H,22,25)