[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C19H14N2O5S MolecularWeight: 382.38986

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C19H14N2O5S/c22-15(12-5-6-16-17(7-12)26-11-25-16)9-24-19(23)10-27-18-8-20-13-3-1-2-4-14(13)21-18/h1-8H,9-11H2