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

Systemtic Name: 3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2-thiophen-2-yl-2H-pyrrol-4-olate Openeye Name: 3-(2,4-dimethylthiazole-5-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-(2-thienyl)-2H-pyrrol-4-olate CAS Name: 3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-5-oxo-1-(3-pyridin-1-iumylmethyl)-2-thiophen-2-yl-2H-pyrrol-4-olate IUPAC Name: 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2-thiophen-2-yl-2H-pyrrol-4-olate Traditional Name: 4-(2,4-dimethylthiazole-5-carbonyl)-2-keto-1-(pyridin-1-ium-3-ylmethyl)-5-(2-thienyl)-3-pyrrolin-3-olate Formula: C20H17N3O3S2 MolecularWeight: 411.49728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=CS3)CC4=C[NH+]=CC=C4)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=CS3)CC4=C[NH+]=CC=C4)[O-]

InChI

InChI=1S/C20H17N3O3S2/c1-11-19(28-12(2)22-11)17(24)15-16(14-6-4-8-27-14)23(20(26)18(15)25)10-13-5-3-7-21-9-13/h3-9,16,25H,10H2,1-2H3