[2-(methylamino)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-2-(methylamino)ethyl] ester Formula: C13H15NO3S2 MolecularWeight: 297.3931

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

CNC(=O)COC(=O)C1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C13H15NO3S2/c1-14-11(15)8-17-12(16)9-2-4-10(5-3-9)13-18-6-7-19-13/h2-5,13H,6-8H2,1H3,(H,14,15)