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

Systemtic Name: 2-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 2-[(1S)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 2-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]thio]benzoate Formula: C17H14NO5S- MolecularWeight: 344.36176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C17H15NO5S/c1-10(24-15-5-3-2-4-12(15)17(20)21)16(19)18-11-6-7-13-14(8-11)23-9-22-13/h2-8,10H,9H2,1H3,(H,18,19)(H,20,21)/p-1/t10-/m0/s1