(5Z)-5-[[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-5-[[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-allyl-5-[[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[[1-(4-methoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-1-allyl-5-[[1-(4-carbomethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C22H20N3O4S- MolecularWeight: 422.4769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S/c1-5-10-24-20(27)18(19(26)23-22(24)30)12-16-11-13(2)25(14(16)3)17-8-6-15(7-9-17)21(28)29-4/h5-9,11-12H,1,10H2,2-4H3,(H,23,26,30)/p-1/b18-12-