[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] ester IUPAC Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-keto-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] ester Formula: C21H22N2O2S2 MolecularWeight: 398.54158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC(=O)N2C(COC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)N2[C@H](COC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2S2/c24-20(15-27-21(26)22-12-6-7-13-22)23-17-10-4-5-11-19(17)25-14-18(23)16-8-2-1-3-9-16/h1-5,8-11,18H,6-7,12-15H2/t18-/m1/s1