2-(3-methylimidazol-3-ium-1-yl)ethyl 4-[4-(4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-yl)phenoxy]butanoate

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-[4-(4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-yl)phenoxy]butanoate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-[4-(3-allyl-4-oxo-thiazolidin-2-yl)phenoxy]butanoate CAS Name: 4-[4-(4-oxo-3-prop-2-enyl-2-thiazolidinyl)phenoxy]butanoic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-[4-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-yl)phenoxy]butanoate Traditional Name: 4-[4-(3-allyl-4-keto-thiazolidin-2-yl)phenoxy]butyric acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCOC(=O)CCCOC2=CC=C(C=C2)C3N(C(=O)CS3)CC=C

Isomeric SMILES

C[N+]1=CN(C=C1)CCOC(=O)CCCOC2=CC=C(C=C2)C3N(C(=O)CS3)CC=C

InChI

InChI=1S/C22H28N3O4S/c1-3-10-25-20(26)16-30-22(25)18-6-8-19(9-7-18)28-14-4-5-21(27)29-15-13-24-12-11-23(2)17-24/h3,6-9,11-12,17,22H,1,4-5,10,13-16H2,2H3/q+1