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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C15H19NO3S2 MolecularWeight: 325.44626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3S2/c1-10(2)16-13(17)9-19-14(18)11-3-5-12(6-4-11)15-20-7-8-21-15/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)