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

Systemtic Name: 2-chloranyl-5-[3-[(Z)-(1-ethyl-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: 2-chloro-5-[3-[(Z)-(1-ethyl-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 2-chloro-5-[3-[(Z)-(1-ethyl-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]-2,5-dimethyl-1-pyrrolyl]benzoate IUPAC Name: 2-chloro-5-[3-[(Z)-(1-ethyl-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 2-chloro-5-[3-[(Z)-(1-ethyl-6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Formula: C20H16ClN3O4S-2 MolecularWeight: 429.87674

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC(=C(C=C3)Cl)C(=O)[O-])C)C(=NC1=S)[O-]

Isomeric SMILES

CCN1C(=O)/C(=C\C2=C(N(C(=C2)C)C3=CC(=C(C=C3)Cl)C(=O)[O-])C)/C(=NC1=S)[O-]

InChI

InChI=1S/C20H18ClN3O4S/c1-4-23-18(26)15(17(25)22-20(23)29)8-12-7-10(2)24(11(12)3)13-5-6-16(21)14(9-13)19(27)28/h5-9H,4H2,1-3H3,(H,27,28)(H,22,25,29)/p-2/b15-8-