[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)ethanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)ethanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-(2-thienylmethylsulfanyl)acetate CAS Name: 2-(thiophen-2-ylmethylthio)acetic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(thiophen-2-ylmethylsulfanyl)acetate Traditional Name: 2-(2-thenylthio)acetic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CSCC3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CSCC3=CC=CS3

InChI

InChI=1S/C18H19NO5S2/c1-12(24-17(20)10-25-9-14-3-2-6-26-14)18(21)19-8-13-4-5-15-16(7-13)23-11-22-15/h2-7,12H,8-11H2,1H3,(H,19,21)/t12-/m1/s1