(phenylmethyl) 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-ethanoylsulfanyl-propanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-ethanoylsulfanyl-propanoyl]amino]ethanoate Openeye Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-5-yl)propanoyl]amino]acetate CAS Name: 2-[[2-[(acetylthio)methyl]-3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-5-yl)propanoyl]amino]acetate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-(1,3-benzodioxol-5-yl)propanoyl]amino]acetic acid benzyl ester Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC2=C(C=C1)OCO2)C(=O)NCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC(CC1=CC2=C(C=C1)OCO2)C(=O)NCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO6S/c1-15(24)30-13-18(9-17-7-8-19-20(10-17)29-14-28-19)22(26)23-11-21(25)27-12-16-5-3-2-4-6-16/h2-8,10,18H,9,11-14H2,1H3,(H,23,26)