2-[3-(1,3-benzodioxol-5-yl)propanoyl-(ethanoylsulfanylmethyl)amino]propanoic acid

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl-(ethanoylsulfanylmethyl)amino]propanoic acid Openeye Name: 2-[acetylsulfanylmethyl-[3-(1,3-benzodioxol-5-yl)propanoyl]amino]propanoic acid CAS Name: 2-[(acetylthio)methyl-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[acetylsulfanylmethyl-[3-(1,3-benzodioxol-5-yl)propanoyl]amino]propanoic acid Traditional Name: 2-[(acetylthio)methyl-[3-(1,3-benzodioxol-5-yl)propanoyl]amino]propionic acid Formula: C16H19NO6S MolecularWeight: 353.39016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(CSC(=O)C)C(=O)CCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C(=O)O)N(CSC(=O)C)C(=O)CCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H19NO6S/c1-10(16(20)21)17(8-24-11(2)18)15(19)6-4-12-3-5-13-14(7-12)23-9-22-13/h3,5,7,10H,4,6,8-9H2,1-2H3,(H,20,21)