ethyl 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-1,2-thiazol-2-yl]ethanoate bromide

Systemtic Name: ethyl 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-1,2-thiazol-2-yl]ethanoate bromide Openeye Name: ethyl 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-isothiazol-2-yl]acetate bromide CAS Name: 2-[4-(4-chlorophenyl)-5-(4-morpholin-4-iumylidene)-2-isothiazolyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-1,2-thiazol-2-yl]acetate bromide Traditional Name: 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-3-isothiazolin-2-yl]acetic acid ethyl ester bromide Formula: C17H20BrClN2O3S MolecularWeight: 447.7743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C(=[N+]2CCOCC2)S1)C3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

CCOC(=O)CN1C=C(C(=[N+]2CCOCC2)S1)C3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C17H20ClN2O3S.BrH/c1-2-23-16(21)12-20-11-15(13-3-5-14(18)6-4-13)17(24-20)19-7-9-22-10-8-19;/h3-6,11H,2,7-10,12H2,1H3;1H/q+1;/p-1