[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C20H21NO3S2 MolecularWeight: 387.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

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