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

Systemtic Name: 3-[2,5-dimethyl-3-[(E)-(4-oxidanidyl-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Openeye Name: 3-[3-[(E)-(1-allyl-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 3-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidene-5-pyrimidinylidene)methyl]-1-pyrrolyl]benzoate IUPAC Name: 3-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Traditional Name: 3-[3-[(E)-(1-allyl-6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Formula: C21H17N3O4S-2 MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-4-8-23-19(26)17(18(25)22-21(23)29)11-15-9-12(2)24(13(15)3)16-7-5-6-14(10-16)20(27)28/h4-7,9-11H,1,8H2,2-3H3,(H,27,28)(H,22,25,29)/p-2/b17-11+