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

Systemtic Name: 4-[2,5-dimethyl-3-[(E)-(4-oxidanidyl-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]-3-methyl-benzoate Openeye Name: 4-[3-[(E)-(1-allyl-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoate CAS Name: 4-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidene-5-pyrimidinylidene)methyl]-1-pyrrolyl]-3-methylbenzoate IUPAC Name: 4-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-5-ylidene)methyl]pyrrol-1-yl]-3-methylbenzoate Traditional Name: 4-[3-[(E)-(1-allyl-6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoate Formula: C22H19N3O4S-2 MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S/c1-5-8-24-20(27)17(19(26)23-22(24)30)11-16-10-13(3)25(14(16)4)18-7-6-15(21(28)29)9-12(18)2/h5-7,9-11H,1,8H2,2-4H3,(H,28,29)(H,23,26,30)/p-2/b17-11+