2-azanyl-3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]propionic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSCC(C(=O)O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C12H14N2O5S/c13-8(12(16)17)4-20-5-11(15)14-7-1-2-9-10(3-7)19-6-18-9/h1-3,8H,4-6,13H2,(H,14,15)(H,16,17)