3-[2-[(Z)-(4-oxidanidyl-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate

Systemtic Name: 3-[2-[(Z)-(4-oxidanidyl-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Openeye Name: 3-[2-[(Z)-(1-allyl-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate CAS Name: 3-[2-[(Z)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidene-5-pyrimidinylidene)methyl]-1-pyrrolyl]benzoate IUPAC Name: 3-[2-[(Z)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Traditional Name: 3-[2-[(Z)-(1-allyl-6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Formula: C19H13N3O4S-2 MolecularWeight: 379.38922

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=CN2C3=CC=CC(=C3)C(=O)[O-])C(=NC1=S)[O-]

Isomeric SMILES

C=CCN1C(=O)/C(=C\C2=CC=CN2C3=CC=CC(=C3)C(=O)[O-])/C(=NC1=S)[O-]

InChI

InChI=1S/C19H15N3O4S/c1-2-8-22-17(24)15(16(23)20-19(22)27)11-14-7-4-9-21(14)13-6-3-5-12(10-13)18(25)26/h2-7,9-11H,1,8H2,(H,25,26)(H,20,23,27)/p-2/b15-11-