dimethyl 2-[(E)-4-nitroso-3-sulfanyl-but-3-en-2-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[(E)-4-nitroso-3-sulfanyl-but-3-en-2-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[(E)-1-methyl-3-nitroso-2-sulfanyl-prop-2-enylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[(E)-3-mercapto-4-nitrosobut-3-en-2-ylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(E)-4-nitroso-3-sulfanylbut-3-en-2-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[(E)-2-mercapto-1-methyl-3-nitroso-prop-2-enylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C11H11NO5S3 MolecularWeight: 333.40374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=CN=O)S

Isomeric SMILES

CC(=C1SC(=C(S1)C(=O)OC)C(=O)OC)/C(=C\N=O)/S

InChI

InChI=1S/C11H11NO5S3/c1-5(6(18)4-12-15)11-19-7(9(13)16-2)8(20-11)10(14)17-3/h4,18H,1-3H3/b6-4+