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

Systemtic Name: 2-methylpropyl 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-1,2-thiazol-2-yl]ethanoate Openeye Name: isobutyl 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-isothiazol-2-yl]acetate CAS Name: 2-[4-(4-chlorophenyl)-5-(4-morpholin-4-iumylidene)-2-isothiazolyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-1,2-thiazol-2-yl]acetate Traditional Name: 2-[4-(4-chlorophenyl)-5-morpholin-4-ium-4-ylidene-3-isothiazolin-2-yl]acetic acid isobutyl ester Formula: C19H24ClN2O3S+ MolecularWeight: 395.92346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CN1C=C(C(=[N+]2CCOCC2)S1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)COC(=O)CN1C=C(C(=[N+]2CCOCC2)S1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H24ClN2O3S/c1-14(2)13-25-18(23)12-22-11-17(15-3-5-16(20)6-4-15)19(26-22)21-7-9-24-10-8-21/h3-6,11,14H,7-10,12-13H2,1-2H3/q+1