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

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [(1S)-2-cumidino-2-keto-1-methyl-ethyl] ester Formula: C22H25NO3S2 MolecularWeight: 415.5688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C22H25NO3S2/c1-14(2)16-8-10-19(11-9-16)23-20(24)15(3)26-21(25)17-4-6-18(7-5-17)22-27-12-13-28-22/h4-11,14-15,22H,12-13H2,1-3H3,(H,23,24)/t15-/m0/s1