diethyl 2-[(2-methylphenyl)sulfanyl-sulfanyl-methylidene]propanedioate

Systemtic Name: diethyl 2-[(2-methylphenyl)sulfanyl-sulfanyl-methylidene]propanedioate Openeye Name: diethyl 2-[o-tolylsulfanyl(sulfanyl)methylene]propanedioate CAS Name: 2-[mercapto-[(2-methylphenyl)thio]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2-methylphenyl)sulfanyl-sulfanylmethylidene]propanedioate Traditional Name: 2-[mercapto-(o-tolylthio)methylene]malonic acid diethyl ester Formula: C15H18O4S2 MolecularWeight: 326.43102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(S)SC1=CC=CC=C1C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C(S)SC1=CC=CC=C1C)C(=O)OCC

InChI

InChI=1S/C15H18O4S2/c1-4-18-13(16)12(14(17)19-5-2)15(20)21-11-9-7-6-8-10(11)3/h6-9,20H,4-5H2,1-3H3