[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate Openeye Name: [2-oxo-2-(2-phenylanilino)ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3S)-3-dithiolanyl]pentanoic acid [2-oxo-2-(2-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylanilino)ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3S)-dithiolan-3-yl]valeric acid [2-keto-2-(2-phenylanilino)ethyl] ester Formula: C22H25NO3S2 MolecularWeight: 415.5688

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

C1CSS[C@H]1CCCCC(=O)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C22H25NO3S2/c24-21(16-26-22(25)13-7-4-10-18-14-15-27-28-18)23-20-12-6-5-11-19(20)17-8-2-1-3-9-17/h1-3,5-6,8-9,11-12,18H,4,7,10,13-16H2,(H,23,24)/t18-/m0/s1