[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H21NO3S2 MolecularWeight: 387.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C20H21NO3S2/c1-14(18(22)21-13-15-5-3-2-4-6-15)24-19(23)16-7-9-17(10-8-16)20-25-11-12-26-20/h2-10,14,20H,11-13H2,1H3,(H,21,22)