[4-(1,3-dithian-2-yl)-5-phenyl-pentan-2-yl] 2-(oxidanylideneboranylmethylamino)butanoate

Systemtic Name: [4-(1,3-dithian-2-yl)-5-phenyl-pentan-2-yl] 2-(oxidanylideneboranylmethylamino)butanoate Openeye Name: [3-(1,3-dithian-2-yl)-1-methyl-4-phenyl-butyl] 2-(oxoboranylmethylamino)butanoate CAS Name: 2-(oxoboranylmethylamino)butanoic acid [4-(1,3-dithian-2-yl)-5-phenylpentan-2-yl] ester IUPAC Name: [4-(1,3-dithian-2-yl)-5-phenylpentan-2-yl] 2-(oxoboranylmethylamino)butanoate Traditional Name: 2-(ketoboranylmethylamino)butyric acid [3-(1,3-dithian-2-yl)-1-methyl-4-phenyl-butyl] ester Formula: C20H30BNO3S2 MolecularWeight: 407.3981

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Descriptors Computed from Structure

Canonical SMILES:

B(=O)CNC(CC)C(=O)OC(C)CC(CC1=CC=CC=C1)C2SCCCS2

Isomeric SMILES

B(=O)CNC(CC)C(=O)OC(C)CC(CC1=CC=CC=C1)C2SCCCS2

InChI

InChI=1S/C20H30BNO3S2/c1-3-18(22-14-21-24)19(23)25-15(2)12-17(20-26-10-7-11-27-20)13-16-8-5-4-6-9-16/h4-6,8-9,15,17-18,20,22H,3,7,10-14H2,1-2H3