methyl 4-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H21NO4S2 MolecularWeight: 403.51504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C20H21NO4S2/c1-24-19(23)15-4-2-14(3-5-15)12-21-18(22)13-25-17-8-6-16(7-9-17)20-26-10-11-27-20/h2-9,20H,10-13H2,1H3,(H,21,22)