[2-[(4-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-[(4-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-[(4-methoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-2-[methyl(p-anisyl)amino]ethyl] ester Formula: C21H23NO4S2 MolecularWeight: 417.54162

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OC)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CN(CC1=CC=C(C=C1)OC)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

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