dimethyl (E)-2-piperidin-1-ylcarbothioylsulfanylbut-2-enedioate

Systemtic Name: dimethyl (E)-2-piperidin-1-ylcarbothioylsulfanylbut-2-enedioate Openeye Name: dimethyl (E)-2-(piperidine-1-carbothioylsulfanyl)but-2-enedioate CAS Name: (E)-2-[[1-piperidinyl(sulfanylidene)methyl]thio]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(piperidine-1-carbothioylsulfanyl)but-2-enedioate Traditional Name: (E)-2-(piperidine-1-carbothioylthio)but-2-enedioic acid dimethyl ester Formula: C12H17NO4S2 MolecularWeight: 303.39768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)SC(=S)N1CCCCC1

Isomeric SMILES

COC(=O)/C=C(\C(=O)OC)/SC(=S)N1CCCCC1

InChI

InChI=1S/C12H17NO4S2/c1-16-10(14)8-9(11(15)17-2)19-12(18)13-6-4-3-5-7-13/h8H,3-7H2,1-2H3/b9-8+