4-[2-[(Z)-[1-(2-methoxyphenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoate

Systemtic Name: 4-[2-[(Z)-[1-(2-methoxyphenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoate Openeye Name: 4-[2-[(Z)-[1-(2-methoxyphenyl)-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoate CAS Name: 4-[2-[(Z)-[1-(2-methoxyphenyl)-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene]methyl]-1-pyrrolyl]benzoate IUPAC Name: 4-[2-[(Z)-[1-(2-methoxyphenyl)-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2-[(Z)-[6-keto-1-(2-methoxyphenyl)-4-oxido-2-thioxo-pyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoate Formula: C23H15N3O5S-2 MolecularWeight: 445.4473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)[O-])C(=NC2=S)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)/C(=C\C3=CC=CN3C4=CC=C(C=C4)C(=O)[O-])/C(=NC2=S)[O-]

InChI

InChI=1S/C23H17N3O5S/c1-31-19-7-3-2-6-18(19)26-21(28)17(20(27)24-23(26)32)13-16-5-4-12-25(16)15-10-8-14(9-11-15)22(29)30/h2-13H,1H3,(H,29,30)(H,24,27,32)/p-2/b17-13-