ethyl 2-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-8-methyl-pyrimido[5,4-c]cinnolin-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-8-methyl-pyrimido[5,4-c]cinnolin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[2-(2-ethoxy-2-oxo-ethyl)sulfanyl-8-methyl-pyrimido[5,4-c]cinnolin-4-yl]sulfanylacetate CAS Name: 2-[[2-[(2-ethoxy-2-oxoethyl)thio]-8-methyl-4-pyrimido[5,4-c]cinnolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanyl-8-methylpyrimido[5,4-c]cinnolin-4-yl]sulfanylacetate Traditional Name: 2-[[2-[(2-ethoxy-2-keto-ethyl)thio]-8-methyl-pyrimido[5,4-c]cinnolin-4-yl]thio]acetic acid ethyl ester Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC2=C1N=NC3=C2C=CC(=C3)C)SCC(=O)OCC

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC2=C1N=NC3=C2C=CC(=C3)C)SCC(=O)OCC

InChI

InChI=1S/C19H20N4O4S2/c1-4-26-14(24)9-28-18-17-16(12-7-6-11(3)8-13(12)22-23-17)20-19(21-18)29-10-15(25)27-5-2/h6-8H,4-5,9-10H2,1-3H3