[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CC=C3SCC(=O)N(C)C

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CC=C3SCC(=O)N(C)C

InChI

InChI=1S/C22H24N2O6S/c1-14(21(26)23-11-15-8-9-17-18(10-15)29-13-28-17)30-22(27)16-6-4-5-7-19(16)31-12-20(25)24(2)3/h4-10,14H,11-13H2,1-3H3,(H,23,26)