2-(4-tert-butylphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 2-(4-tert-butylphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(4-tert-butylphenyl)-3-(2,4-dimethylthiazole-5-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(4-tert-butylphenyl)-3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(4-tert-butylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(4-tert-butylphenyl)-4-(2,4-dimethylthiazole-5-carbonyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolin-3-olate Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)C(C)(C)C)CC[NH+]4CCOCC4)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)C(C)(C)C)CC[NH+]4CCOCC4)[O-]

InChI

InChI=1S/C26H33N3O4S/c1-16-24(34-17(2)27-16)22(30)20-21(18-6-8-19(9-7-18)26(3,4)5)29(25(32)23(20)31)11-10-28-12-14-33-15-13-28/h6-9,21,31H,10-15H2,1-5H3