2-[(5E)-5-[5-methoxy-3-(4-sulfobutyl)-1,3-benzothiazol-2-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate

Systemtic Name: 2-[(5E)-5-[5-methoxy-3-(4-sulfobutyl)-1,3-benzothiazol-2-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[(5E)-5-[5-methoxy-3-(4-sulfobutyl)-1,3-benzothiazol-2-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[(5E)-5-[5-methoxy-3-(4-sulfobutyl)-1,3-benzothiazol-2-ylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[(5E)-5-[5-methoxy-3-(4-sulfobutyl)-1,3-benzothiazol-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[(5E)-4-keto-5-[5-methoxy-3-(4-sulfobutyl)-1,3-benzothiazol-2-ylidene]-2-thioxo-thiazolidin-3-yl]acetate Formula: C17H17N2O7S4- MolecularWeight: 489.58608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=C3C(=O)N(C(=S)S3)CC(=O)[O-])N2CCCCS(=O)(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)S/C(=C/3\C(=O)N(C(=S)S3)CC(=O)[O-])/N2CCCCS(=O)(=O)O

InChI

InChI=1S/C17H18N2O7S4/c1-26-10-4-5-12-11(8-10)18(6-2-3-7-30(23,24)25)16(28-12)14-15(22)19(9-13(20)21)17(27)29-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,20,21)(H,23,24,25)/p-1/b16-14+