2-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: 2-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 2-[(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 2-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl]thio]benzoate Formula: C18H16NO5S- MolecularWeight: 358.38834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C18H17NO5S/c1-11(25-16-5-3-2-4-13(16)18(21)22)17(20)19-9-12-6-7-14-15(8-12)24-10-23-14/h2-8,11H,9-10H2,1H3,(H,19,20)(H,21,22)/p-1/t11-/m0/s1