(2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O7S/c25-20(23-15-5-6-17-18(11-15)31-14-30-17)13-32-19-4-2-1-3-16(19)22(27)29-12-21(26)24-7-9-28-10-8-24/h1-6,11H,7-10,12-14H2,(H,23,25)