[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H19N3O5S MolecularWeight: 425.45766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H19N3O5S/c1-13(21(26)23-14-6-7-17-18(10-14)28-9-8-27-17)29-20(25)12-30-19-11-22-15-4-2-3-5-16(15)24-19/h2-7,10-11,13H,8-9,12H2,1H3,(H,23,26)