[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-keto-ethyl] ester Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H21NO5S2/c23-19(22-11-16-12-25-17-3-1-2-4-18(17)27-16)13-26-20(24)14-5-7-15(8-6-14)21-28-9-10-29-21/h1-8,16,21H,9-13H2,(H,22,23)