[4-(1,3-dithiolan-2-yl)phenyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]propionic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C23H27NO3S2 MolecularWeight: 429.59538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OC2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OC2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C23H27NO3S2/c1-23(2,3)18-8-4-16(5-9-18)21(26)24-13-12-20(25)27-19-10-6-17(7-11-19)22-28-14-15-29-22/h4-11,22H,12-15H2,1-3H3,(H,24,26)