[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-keto-ethyl] ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC(=O)NCC2COC3=CC=CC=C3O2

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)NC[C@@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C16H20N2O3S2/c19-15(11-23-16(22)18-7-3-4-8-18)17-9-12-10-20-13-5-1-2-6-14(13)21-12/h1-2,5-6,12H,3-4,7-11H2,(H,17,19)/t12-/m1/s1