dimethyl 5-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-phenylthiazol-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[(4-phenyl-2-thiazolyl)thio]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-phenylthiazol-2-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC(=CS2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC(=CS2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H18N2O5S2/c1-27-19(25)14-8-15(20(26)28-2)10-16(9-14)22-18(24)12-30-21-23-17(11-29-21)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,24)