[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-keto-ethyl] ester Formula: C20H26N2O3S2 MolecularWeight: 406.56204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)N2CCC[C@@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H26N2O3S2/c23-19(14-27-20(26)21-8-1-2-9-21)22-10-3-5-16(22)15-6-7-17-18(13-15)25-12-4-11-24-17/h6-7,13,16H,1-5,8-12,14H2/t16-/m1/s1