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

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfanylbenzoate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [(1S)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CC=C3SC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C18H17NO5S/c1-11(24-18(21)13-5-3-4-6-16(13)25-2)17(20)19-12-7-8-14-15(9-12)23-10-22-14/h3-9,11H,10H2,1-2H3,(H,19,20)/t11-/m0/s1