[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)C1=C(N(C(=C1)C)CC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)C1=C(N(C(=C1)C)CC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C21H26N2O3S2/c1-5-22(6-2)21(27)28-12-18(24)17-9-14(3)23(15(17)4)11-16-7-8-19-20(10-16)26-13-25-19/h7-10H,5-6,11-13H2,1-4H3