(5E)-5-[[1-(3-ethoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[[1-(3-ethoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[[1-(3-ethoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[[1-(3-ethoxycarbonylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[[1-(3-ethoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-[[1-(3-carbethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C20H18N3O4S- MolecularWeight: 396.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N=C3[O-])C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)/C=C\3/C(=O)NC(=S)N=C3[O-])C

InChI

InChI=1S/C20H19N3O4S/c1-4-27-19(26)13-6-5-7-15(9-13)23-11(2)8-14(12(23)3)10-16-17(24)21-20(28)22-18(16)25/h5-10H,4H2,1-3H3,(H2,21,22,24,25,28)/p-1