3-[4-[5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 3-[4-[5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 3-[4-[3-allyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-thiazolidin-2-ylidene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 3-[4-[5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-3-prop-2-enyl-2-thiazolidinylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 3-[4-[5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 3-[4-[3-allyl-4-keto-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiazolidin-2-ylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C25H22N4O6S3 MolecularWeight: 570.66038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C2N(C(=O)C(=C3N(C4=C(S3)C=CC(=C4)OC)C)S2)CC=C)C5=CC(=CC=C5)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1=C2N(C(=O)C(=C3N(C4=C(S3)C=CC(=C4)OC)C)S2)CC=C)C5=CC(=CC=C5)S(=O)(=O)O

InChI

InChI=1S/C25H22N4O6S3/c1-5-11-28-23(31)21(25-27(3)18-13-16(35-4)9-10-19(18)36-25)37-24(28)20-14(2)26-29(22(20)30)15-7-6-8-17(12-15)38(32,33)34/h5-10,12-13H,1,11H2,2-4H3,(H,32,33,34)