diethyl 2,5-bis(sulfanyl)benzene-1,4-dicarboxylate; N,N-dimethylcarbamothioate

Systemtic Name: diethyl 2,5-bis(sulfanyl)benzene-1,4-dicarboxylate; N,N-dimethylcarbamothioate Openeye Name: diethyl 2,5-bis(sulfanyl)benzene-1,4-dicarboxylate; N,N-dimethylcarbamothioate CAS Name: 2,5-dimercaptobenzene-1,4-dicarboxylic acid diethyl ester; N,N-dimethylcarbamothioate IUPAC Name: diethyl 2,5-bis(sulfanyl)benzene-1,4-dicarboxylate; N,N-dimethylcarbamothioate Traditional Name: 2,5-dimercaptobenzene-1,4-dicarboxylic acid diethyl ester; N,N-dimethylthiocarbamate Formula: C18H26N2O6S4-2 MolecularWeight: 494.66884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1S)C(=O)OCC)S.CN(C)C(=S)[O-].CN(C)C(=S)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1S)C(=O)OCC)S.CN(C)C(=S)[O-].CN(C)C(=S)[O-]

InChI

InChI=1S/C12H14O4S2.2C3H7NOS/c1-3-15-11(13)7-5-10(18)8(6-9(7)17)12(14)16-4-2;2*1-4(2)3(5)6/h5-6,17-18H,3-4H2,1-2H3;2*1-2H3,(H,5,6)/p-2