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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3S2/c1-2-6-19(16-7-4-3-5-8-16)23-20(24)15-26-21(25)17-9-11-18(12-10-17)22-27-13-14-28-22/h3-5,7-12,19,22H,2,6,13-15H2,1H3,(H,23,24)