dimethyl 3,6-bis(oxidanyl)-4-piperidin-1-ylcarbothioylsulfanyl-benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 3,6-bis(oxidanyl)-4-piperidin-1-ylcarbothioylsulfanyl-benzene-1,2-dicarboxylate Openeye Name: dimethyl 3,6-dihydroxy-4-(piperidine-1-carbothioylsulfanyl)benzene-1,2-dicarboxylate CAS Name: 3,6-dihydroxy-4-[[1-piperidinyl(sulfanylidene)methyl]thio]benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3,6-dihydroxy-4-(piperidine-1-carbothioylsulfanyl)benzene-1,2-dicarboxylate Traditional Name: 3,6-dihydroxy-4-(piperidine-1-carbothioylthio)benzene-1,2-dicarboxylic acid dimethyl ester Formula: C16H19NO6S2 MolecularWeight: 385.45516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1O)SC(=S)N2CCCCC2)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1O)SC(=S)N2CCCCC2)O)C(=O)OC

InChI

InChI=1S/C16H19NO6S2/c1-22-14(20)11-9(18)8-10(13(19)12(11)15(21)23-2)25-16(24)17-6-4-3-5-7-17/h8,18-19H,3-7H2,1-2H3