ethyl 2-[2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[[1-(1,3-benzodioxol-5-ylmethyl)-2-imidazolyl]thio]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(1-piperonylimidazol-2-yl)thio]acetyl]amino]acetic acid ethyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CSC1=NC=CN1CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)CNC(=O)CSC1=NC=CN1CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19N3O5S/c1-2-23-16(22)8-19-15(21)10-26-17-18-5-6-20(17)9-12-3-4-13-14(7-12)25-11-24-13/h3-7H,2,8-11H2,1H3,(H,19,21)