ethyl 2-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylpyrimido[5,4-c]cinnolin-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylpyrimido[5,4-c]cinnolin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[2-(2-ethoxy-2-oxo-ethyl)sulfanylpyrimido[5,4-c]cinnolin-4-yl]sulfanylacetate CAS Name: 2-[[2-[(2-ethoxy-2-oxoethyl)thio]-4-pyrimido[5,4-c]cinnolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylpyrimido[5,4-c]cinnolin-4-yl]sulfanylacetate Traditional Name: 2-[[2-[(2-ethoxy-2-keto-ethyl)thio]pyrimido[5,4-c]cinnolin-4-yl]thio]acetic acid ethyl ester Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC2=C1N=NC3=CC=CC=C32)SCC(=O)OCC

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC2=C1N=NC3=CC=CC=C32)SCC(=O)OCC

InChI

InChI=1S/C18H18N4O4S2/c1-3-25-13(23)9-27-17-16-15(11-7-5-6-8-12(11)21-22-16)19-18(20-17)28-10-14(24)26-4-2/h5-8H,3-4,9-10H2,1-2H3