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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H20N2O4S2 MolecularWeight: 368.471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S2/c1-10(2)17-16(21)18-13(19)9-22-14(20)11-3-5-12(6-4-11)15-23-7-8-24-15/h3-6,10,15H,7-9H2,1-2H3,(H2,17,18,19,21)