[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(2-cyanoethylamino)-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-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-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-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C21H19N3O6S/c22-8-3-9-23-19(25)11-28-21(27)15-4-1-2-5-18(15)31-12-20(26)24-14-6-7-16-17(10-14)30-13-29-16/h1-2,4-7,10H,3,9,11-13H2,(H,23,25)(H,24,26)