3-[4-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]-3-(2-oxidanylidenechromen-3-yl)pyrazol-1-yl]propanoate

Systemtic Name: 3-[4-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]-3-(2-oxidanylidenechromen-3-yl)pyrazol-1-yl]propanoate Openeye Name: 3-[4-[(E)-(4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]-3-(2-oxochromen-3-yl)pyrazol-1-yl]propanoate CAS Name: 3-[4-[(E)-(4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]-3-(2-oxo-1-benzopyran-3-yl)-1-pyrazolyl]propanoate IUPAC Name: 3-[4-[(E)-(4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]-3-(2-oxochromen-3-yl)pyrazol-1-yl]propanoate Traditional Name: 3-[3-(2-ketochromen-3-yl)-4-[(E)-(6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]pyrazol-1-yl]propionate Formula: C20H12N4O6S-2 MolecularWeight: 436.39748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C=C3C=C4C(=O)NC(=S)N=C4[O-])CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C=C3/C=C\4/C(=O)NC(=S)N=C4[O-])CCC(=O)[O-]

InChI

InChI=1S/C20H14N4O6S/c25-15(26)5-6-24-9-11(8-13-17(27)21-20(31)22-18(13)28)16(23-24)12-7-10-3-1-2-4-14(10)30-19(12)29/h1-4,7-9H,5-6H2,(H,25,26)(H2,21,22,27,28,31)/p-2