2-chloranyl-5-[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: 2-chloranyl-5-[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: 5-[3-[(E)-(1-allyl-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-2-chloro-benzoate CAS Name: 2-chloro-5-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidene-5-pyrimidinylidene)methyl]-1-pyrrolyl]benzoate IUPAC Name: 2-chloro-5-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Traditional Name: 5-[3-[(E)-(1-allyl-6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-2-chloro-benzoate Formula: C21H16ClN3O4S-2 MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O4S/c1-4-7-24-19(27)16(18(26)23-21(24)30)9-13-8-11(2)25(12(13)3)14-5-6-17(22)15(10-14)20(28)29/h4-6,8-10H,1,7H2,2-3H3,(H,28,29)(H,23,26,30)/p-2/b16-9+