ethyl 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-ethanoylsulfanyl-propanoyl]amino]propanoate

Systemtic Name: ethyl 2-[[2-(1,3-benzodioxol-5-ylmethyl)-3-ethanoylsulfanyl-propanoyl]amino]propanoate Openeye Name: ethyl 2-[[2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-5-yl)propanoyl]amino]propanoate CAS Name: 2-[[2-[(acetylthio)methyl]-3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(acetylsulfanylmethyl)-3-(1,3-benzodioxol-5-yl)propanoyl]amino]propanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-(1,3-benzodioxol-5-yl)propanoyl]amino]propionic acid ethyl ester Formula: C18H23NO6S MolecularWeight: 381.44332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)C(CC1=CC2=C(C=C1)OCO2)CSC(=O)C

Isomeric SMILES

CCOC(=O)C(C)NC(=O)C(CC1=CC2=C(C=C1)OCO2)CSC(=O)C

InChI

InChI=1S/C18H23NO6S/c1-4-23-18(22)11(2)19-17(21)14(9-26-12(3)20)7-13-5-6-15-16(8-13)25-10-24-15/h5-6,8,11,14H,4,7,9-10H2,1-3H3,(H,19,21)