[4-(1,3-dithiolan-2-yl)phenyl] 3-acetamido-3-(4-methylphenyl)propanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-acetamido-3-(4-methylphenyl)propanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-acetamido-3-(p-tolyl)propanoate CAS Name: 3-acetamido-3-(4-methylphenyl)propanoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-acetamido-3-(4-methylphenyl)propanoate Traditional Name: 3-acetamido-3-(p-tolyl)propionic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC2=CC=C(C=C2)C3SCCS3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC2=CC=C(C=C2)C3SCCS3)NC(=O)C

InChI

InChI=1S/C21H23NO3S2/c1-14-3-5-16(6-4-14)19(22-15(2)23)13-20(24)25-18-9-7-17(8-10-18)21-26-11-12-27-21/h3-10,19,21H,11-13H2,1-2H3,(H,22,23)