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

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C20H20N2O4S2/c1-21-20(25)22-17(23)16(13-5-3-2-4-6-13)26-18(24)14-7-9-15(10-8-14)19-27-11-12-28-19/h2-10,16,19H,11-12H2,1H3,(H2,21,22,23,25)