2-[(5E)-5-[[3-bromanyl-5-methoxy-4-(pyridin-1-ium-2-ylmethoxy)phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate

Systemtic Name: 2-[(5E)-5-[[3-bromanyl-5-methoxy-4-(pyridin-1-ium-2-ylmethoxy)phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[(5E)-5-[[3-bromo-5-methoxy-4-(pyridin-1-ium-2-ylmethoxy)phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[(5E)-5-[[3-bromo-5-methoxy-4-(2-pyridin-1-iumylmethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[(5E)-5-[[3-bromo-5-methoxy-4-(pyridin-1-ium-2-ylmethoxy)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[(5E)-5-[3-bromo-5-methoxy-4-(pyridin-1-ium-2-ylmethoxy)benzylidene]-4-keto-2-thioxo-thiazolidin-3-yl]acetate Formula: C19H15BrN2O5S2 MolecularWeight: 495.3668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)[O-])Br)OCC3=CC=CC=[NH+]3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)[O-])Br)OCC3=CC=CC=[NH+]3

InChI

InChI=1S/C19H15BrN2O5S2/c1-26-14-7-11(8-15-18(25)22(9-16(23)24)19(28)29-15)6-13(20)17(14)27-10-12-4-2-3-5-21-12/h2-8H,9-10H2,1H3,(H,23,24)/b15-8+