ethyl 4-[[4-(2,4-dichlorophenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[4-(2,4-dichlorophenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]benzoate Openeye Name: ethyl 4-[[3-allyl-4-(2,4-dichlorophenyl)thiazol-3-ium-2-yl]amino]benzoate CAS Name: 4-[[4-(2,4-dichlorophenyl)-3-prop-2-enyl-2-thiazol-3-iumyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2,4-dichlorophenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]benzoate Traditional Name: 4-[[3-allyl-4-(2,4-dichlorophenyl)thiazol-3-ium-2-yl]amino]benzoic acid ethyl ester Formula: C21H19Cl2N2O2S+ MolecularWeight: 434.35876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=C(C=C(C=C3)Cl)Cl)CC=C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=C(C=C(C=C3)Cl)Cl)CC=C

InChI

InChI=1S/C21H18Cl2N2O2S/c1-3-11-25-19(17-10-7-15(22)12-18(17)23)13-28-21(25)24-16-8-5-14(6-9-16)20(26)27-4-2/h3,5-10,12-13H,1,4,11H2,2H3/p+1