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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(2-phenylethanoylamino)propanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-[(2-phenylacetyl)amino]propanoate CAS Name: 3-[(1-oxo-2-phenylethyl)amino]propanoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-[(2-phenylacetyl)amino]propanoate Traditional Name: 3-[(2-phenylacetyl)amino]propionic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C20H21NO3S2 MolecularWeight: 387.51564

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)OC(=O)CCNC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)OC(=O)CCNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H21NO3S2/c22-18(14-15-4-2-1-3-5-15)21-11-10-19(23)24-17-8-6-16(7-9-17)20-25-12-13-26-20/h1-9,20H,10-14H2,(H,21,22)