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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]acetate Formula: C11H10NO5S- MolecularWeight: 268.2658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSCC(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSCC(=O)[O-]

InChI

InChI=1S/C11H11NO5S/c13-10(4-18-5-11(14)15)12-7-1-2-8-9(3-7)17-6-16-8/h1-3H,4-6H2,(H,12,13)(H,14,15)/p-1