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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-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)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H20N2O3S2/c19-15(11-23-16(22)18-6-1-2-7-18)17-12-4-5-13-14(10-12)21-9-3-8-20-13/h4-5,10H,1-3,6-9,11H2,(H,17,19)