[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [(1R)-2-[(2-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [(1R)-2-keto-1-methyl-2-(o-anisylamino)ethyl] ester Formula: C21H23NO4S2 MolecularWeight: 417.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)OC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1OC)OC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C21H23NO4S2/c1-14(19(23)22-13-17-5-3-4-6-18(17)25-2)26-20(24)15-7-9-16(10-8-15)21-27-11-12-28-21/h3-10,14,21H,11-13H2,1-2H3,(H,22,23)/t14-/m1/s1