[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=CC=C3

InChI

InChI=1S/C19H19NO5S/c1-13(26-15-5-3-2-4-6-15)19(22)23-11-18(21)20-10-14-7-8-16-17(9-14)25-12-24-16/h2-9,13H,10-12H2,1H3,(H,20,21)/t13-/m1/s1