3-[2,5-dimethyl-3-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate

Systemtic Name: 3-[2,5-dimethyl-3-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Openeye Name: 3-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate CAS Name: 3-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]-1-pyrrolyl]benzoate IUPAC Name: 3-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Traditional Name: 3-[3-[(E)-(6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Formula: C18H13N3O4S-2 MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)[O-])C)C=C3C(=O)NC(=S)N=C3[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)[O-])C)/C=C\3/C(=O)NC(=S)N=C3[O-]

InChI

InChI=1S/C18H15N3O4S/c1-9-6-12(8-14-15(22)19-18(26)20-16(14)23)10(2)21(9)13-5-3-4-11(7-13)17(24)25/h3-8H,1-2H3,(H,24,25)(H2,19,20,22,23,26)/p-2