5-[1-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]ethylidene]-1-(2-methoxyethyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-[1-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]ethylidene]-1-(2-methoxyethyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[1-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]ethylidene]-1-(2-methoxyethyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[1-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]ethylidene]-1-(2-methoxyethyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]ethylidene]-1-(2-methoxyethyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[1-[(3-carbethoxy-5-phenyl-2-thienyl)amino]ethylidene]-6-keto-1-(2-methoxyethyl)-2-thioxo-pyrimidin-4-olate Formula: C22H22N3O5S2- MolecularWeight: 472.55718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=C3C(=NC(=S)N(C3=O)CCOC)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=C3C(=NC(=S)N(C3=O)CCOC)[O-])C

InChI

InChI=1S/C22H23N3O5S2/c1-4-30-21(28)15-12-16(14-8-6-5-7-9-14)32-19(15)23-13(2)17-18(26)24-22(31)25(20(17)27)10-11-29-3/h5-9,12,23H,4,10-11H2,1-3H3,(H,24,26,31)/p-1