(2,6-dimethoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (2,6-dimethoxy-4-pyrrolidin-1-ylcarbothioyl-phenyl) 4-methylbenzenesulfonate Openeye Name: [2,6-dimethoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,6-dimethoxy-4-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-(pyrrolidine-1-carbothioyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,6-dimethoxy-4-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2OC)C(=S)N3CCCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2OC)C(=S)N3CCCC3)OC

InChI

InChI=1S/C20H23NO5S2/c1-14-6-8-16(9-7-14)28(22,23)26-19-17(24-2)12-15(13-18(19)25-3)20(27)21-10-4-5-11-21/h6-9,12-13H,4-5,10-11H2,1-3H3