diethyl 2-[(E)-[methyl-(phenylmethylsulfanyl)carbothioyl-hydrazinylidene]methyl]propanedioate

Systemtic Name: diethyl 2-[(E)-[methyl-(phenylmethylsulfanyl)carbothioyl-hydrazinylidene]methyl]propanedioate Openeye Name: diethyl 2-[(E)-[benzylsulfanylcarbothioyl(methyl)hydrazono]methyl]propanedioate CAS Name: 2-[(E)-[methyl-[(phenylmethylthio)-sulfanylidenemethyl]hydrazinylidene]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-[benzylsulfanylcarbothioyl(methyl)hydrazinylidene]methyl]propanedioate Traditional Name: 2-[(E)-[(benzylthio)carbothioyl-methyl-hydrazono]methyl]malonic acid diethyl ester Formula: C17H22N2O4S2 MolecularWeight: 382.49758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NN(C)C(=S)SCC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(/C=N/N(C)C(=S)SCC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C17H22N2O4S2/c1-4-22-15(20)14(16(21)23-5-2)11-18-19(3)17(24)25-12-13-9-7-6-8-10-13/h6-11,14H,4-5,12H2,1-3H3/b18-11+