S-[3-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methyl-amino]propyl] ethanethioate

Systemtic Name: S-[3-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methyl-amino]propyl] ethanethioate Openeye Name: S-[3-[[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]-methyl-amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylamino]propyl] ester IUPAC Name: S-[3-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylamino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]-methyl-amino]propyl] ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)N(C)CCCSC(=O)C

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OCO2)N(C)CCCSC(=O)C

InChI

InChI=1S/C16H23NO3S/c1-12(17(3)7-4-8-21-13(2)18)9-14-5-6-15-16(10-14)20-11-19-15/h5-6,10,12H,4,7-9,11H2,1-3H3