dimethyl 5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H21N3O6S/c1-29-18-6-4-5-17(12-18)25-8-7-23-22(25)32-13-19(26)24-16-10-14(20(27)30-2)9-15(11-16)21(28)31-3/h4-12H,13H2,1-3H3,(H,24,26)