3-(1,3-benzodioxol-5-yl)-3-(2-phenylsulfanylethylcarbamoylamino)propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-(2-phenylsulfanylethylcarbamoylamino)propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-(2-phenylsulfanylethylcarbamoylamino)propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[oxo-[2-(phenylthio)ethylamino]methyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-(2-phenylsulfanylethylcarbamoylamino)propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(phenylthio)ethylcarbamoylamino]propionic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O5S/c22-18(23)11-15(13-6-7-16-17(10-13)26-12-25-16)21-19(24)20-8-9-27-14-4-2-1-3-5-14/h1-7,10,15H,8-9,11-12H2,(H,22,23)(H2,20,21,24)