[2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-keto-ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H20N2O5S/c1-29-19-6-3-2-5-16(19)21(25)28-14-20(24)23(10-4-9-22)15-7-8-17-18(13-15)27-12-11-26-17/h2-3,5-8,13H,4,10-12,14H2,1H3