dimethyl 5-[2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H23NO7S2 MolecularWeight: 477.55052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OCC(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OCC(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H23NO7S2/c1-27-18-11-13(22-31-6-7-32-22)4-5-17(18)30-12-19(24)23-16-9-14(20(25)28-2)8-15(10-16)21(26)29-3/h4-5,8-11,22H,6-7,12H2,1-3H3,(H,23,24)