[1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [1-methyl-2-oxo-2-(2-phenylanilino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [1-oxo-1-(2-phenylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2-phenylanilino)propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-1-methyl-2-(2-phenylanilino)ethyl] ester Formula: C25H23NO3S2 MolecularWeight: 449.58502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C25H23NO3S2/c1-17(29-24(28)19-11-13-20(14-12-19)25-30-15-16-31-25)23(27)26-22-10-6-5-9-21(22)18-7-3-2-4-8-18/h2-14,17,25H,15-16H2,1H3,(H,26,27)