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

Systemtic Name: 2-[(5E)-5-[5-methoxy-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[(5E)-5-[5-methoxy-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[(5E)-5-[5-methoxy-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[(5E)-5-[5-methoxy-3-(3-sulfopropyl)-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-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]-2-thioxo-thiazolidin-3-yl]acetate Formula: C16H15N2O7S4- MolecularWeight: 475.5595

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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-])N2CCCS(=O)(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)S/C(=C/3\C(=O)N(C(=S)S3)CC(=O)[O-])/N2CCCS(=O)(=O)O

InChI

InChI=1S/C16H16N2O7S4/c1-25-9-3-4-11-10(7-9)17(5-2-6-29(22,23)24)15(27-11)13-14(21)18(8-12(19)20)16(26)28-13/h3-4,7H,2,5-6,8H2,1H3,(H,19,20)(H,22,23,24)/p-1/b15-13+