[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C22H25NO3S2 MolecularWeight: 415.5688

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C22H25NO3S2/c1-16(7-8-17-5-3-2-4-6-17)23-20(24)15-26-21(25)18-9-11-19(12-10-18)22-27-13-14-28-22/h2-6,9-12,16,22H,7-8,13-15H2,1H3,(H,23,24)/t16-/m1/s1