[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]-2-keto-ethyl] ester Formula: C16H20N2O4S2 MolecularWeight: 368.471

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC(=O)C1COC2=CC=CC=C2O1

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC(=O)[C@H]1COC2=CC=CC=C2O1

InChI

InChI=1S/C16H20N2O4S2/c1-3-18(4-2)16(23)24-10-14(19)17-15(20)13-9-21-11-7-5-6-8-12(11)22-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,17,19,20)/t13-/m1/s1