dimethyl (4Z,6E)-6-pyrrolidin-1-yl-3,8-dihydro-2H-thiocine-4,5-dicarboxylate

Systemtic Name: dimethyl (4Z,6E)-6-pyrrolidin-1-yl-3,8-dihydro-2H-thiocine-4,5-dicarboxylate Openeye Name: dimethyl (4Z,6E)-6-pyrrolidin-1-yl-3,8-dihydro-2H-thiocine-4,5-dicarboxylate CAS Name: (4Z,6E)-6-(1-pyrrolidinyl)-3,8-dihydro-2H-thiocin-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4Z,6E)-6-pyrrolidin-1-yl-3,8-dihydro-2H-thiocine-4,5-dicarboxylate Traditional Name: (4Z,6E)-6-pyrrolidino-3,8-dihydro-2H-thiocin-4,5-dicarboxylic acid dimethyl ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CCSCC1)N2CCCC2)C(=O)OC

Isomeric SMILES

COC(=O)/C/1=C(/C(=C\CSCC1)/N2CCCC2)\C(=O)OC

InChI

InChI=1S/C15H21NO4S/c1-19-14(17)11-5-9-21-10-6-12(13(11)15(18)20-2)16-7-3-4-8-16/h6H,3-5,7-10H2,1-2H3/b12-6+,13-11-