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

Systemtic Name: 3-[2,5-dimethyl-3-[(E)-(1-methyl-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]-2-methyl-benzoate Openeye Name: 3-[2,5-dimethyl-3-[(E)-(1-methyl-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]-2-methyl-benzoate CAS Name: 3-[2,5-dimethyl-3-[(E)-(1-methyl-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]-1-pyrrolyl]-2-methylbenzoate IUPAC Name: 3-[2,5-dimethyl-3-[(E)-(1-methyl-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]pyrrol-1-yl]-2-methylbenzoate Traditional Name: 3-[3-[(E)-(6-keto-1-methyl-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate Formula: C20H17N3O4S-2 MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)[O-])C)C=C3C(=NC(=S)N(C3=O)C)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)[O-])C)/C=C/3\C(=NC(=S)N(C3=O)C)[O-]

InChI

InChI=1S/C20H19N3O4S/c1-10-8-13(9-15-17(24)21-20(28)22(4)18(15)25)12(3)23(10)16-7-5-6-14(11(16)2)19(26)27/h5-9H,1-4H3,(H,26,27)(H,21,24,28)/p-2/b15-9+