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

Systemtic Name: 3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-4-olate Openeye Name: 3-(2,4-dimethylthiazole-5-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(2-thienyl)-2H-pyrrol-4-olate CAS Name: 3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate IUPAC Name: 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate Traditional Name: 4-(2,4-dimethylthiazole-5-carbonyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)-5-(2-thienyl)-3-pyrrolin-3-olate Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=CS3)CC[NH+]4CCOCC4)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=CS3)CC[NH+]4CCOCC4)[O-]

InChI

InChI=1S/C20H23N3O4S2/c1-12-19(29-13(2)21-12)17(24)15-16(14-4-3-11-28-14)23(20(26)18(15)25)6-5-22-7-9-27-10-8-22/h3-4,11,16,25H,5-10H2,1-2H3