4-[(5E)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl]benzoate

Systemtic Name: 4-[(5E)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl]benzoate Openeye Name: 4-[(5E)-5-[(3-methyl-2-thienyl)methylene]-4-oxido-6-oxo-2-thioxo-pyrimidin-1-yl]benzoate CAS Name: 4-[(5E)-5-[(3-methyl-2-thiophenyl)methylidene]-4-oxido-6-oxo-2-sulfanylidene-1-pyrimidinyl]benzoate IUPAC Name: 4-[(5E)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxido-6-oxo-2-sulfanylidenepyrimidin-1-yl]benzoate Traditional Name: 4-[(5E)-6-keto-5-[(3-methyl-2-thienyl)methylene]-4-oxido-2-thioxo-pyrimidin-1-yl]benzoate Formula: C17H10N2O4S2-2 MolecularWeight: 370.4023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C2C(=NC(=S)N(C2=O)C3=CC=C(C=C3)C(=O)[O-])[O-]

Isomeric SMILES

CC1=C(SC=C1)/C=C/2\C(=NC(=S)N(C2=O)C3=CC=C(C=C3)C(=O)[O-])[O-]

InChI

InChI=1S/C17H12N2O4S2/c1-9-6-7-25-13(9)8-12-14(20)18-17(24)19(15(12)21)11-4-2-10(3-5-11)16(22)23/h2-8H,1H3,(H,22,23)(H,18,20,24)/p-2/b12-8+