2-[[2-(1,3-benzodioxol-4-ylmethyl)-3-ethanoylsulfanyl-propanoyl]-(phenylmethyl)amino]ethanoate

Systemtic Name: 2-[[2-(1,3-benzodioxol-4-ylmethyl)-3-ethanoylsulfanyl-propanoyl]-(phenylmethyl)amino]ethanoate Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-4-yl)propanoyl]-benzyl-amino]acetate CAS Name: 2-[[2-[(acetylthio)methyl]-3-(1,3-benzodioxol-4-yl)-1-oxopropyl]-(phenylmethyl)amino]acetate IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-4-yl)propanoyl]-benzylamino]acetate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-(1,3-benzodioxol-4-yl)propanoyl]-benzyl-amino]acetate Formula: C22H22NO6S- MolecularWeight: 428.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=C2C(=CC=C1)OCO2)C(=O)N(CC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

CC(=O)SCC(CC1=C2C(=CC=C1)OCO2)C(=O)N(CC3=CC=CC=C3)CC(=O)[O-]

InChI

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