methyl 1-[(E)-[[(4,6-dimethoxypyrimidin-2-yl)amino]-methylsulfanyl-methylidene]amino]sulfonylnaphthalene-2-carboxylate

Systemtic Name: methyl 1-[(E)-[[(4,6-dimethoxypyrimidin-2-yl)amino]-methylsulfanyl-methylidene]amino]sulfonylnaphthalene-2-carboxylate Openeye Name: methyl 1-[(E)-[[(4,6-dimethoxypyrimidin-2-yl)amino]-methylsulfanyl-methylene]amino]sulfonylnaphthalene-2-carboxylate CAS Name: 1-[(E)-[[(4,6-dimethoxy-2-pyrimidinyl)amino]-(methylthio)methylidene]amino]sulfonyl-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-[[(4,6-dimethoxypyrimidin-2-yl)amino]-methylsulfanylmethylidene]amino]sulfonylnaphthalene-2-carboxylate Traditional Name: 1-[(E)-[[(4,6-dimethoxypyrimidin-2-yl)amino]-(methylthio)methylene]amino]sulfonylnaphthalene-2-carboxylic acid methyl ester Formula: C20H20N4O6S2 MolecularWeight: 476.526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=NS(=O)(=O)C2=C(C=CC3=CC=CC=C32)C(=O)OC)SC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)N/C(=N\S(=O)(=O)C2=C(C=CC3=CC=CC=C32)C(=O)OC)/SC)OC

InChI

InChI=1S/C20H20N4O6S2/c1-28-15-11-16(29-2)22-19(21-15)23-20(31-4)24-32(26,27)17-13-8-6-5-7-12(13)9-10-14(17)18(25)30-3/h5-11H,1-4H3,(H,21,22,23,24)