diethyl 3-methyl-5-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-[4-(2-thienyl)pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[(4-thiophen-2-yl-2-pyrimidinyl)thio]ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[[4-(2-thienyl)pyrimidin-2-yl]thio]acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H21N3O5S3 MolecularWeight: 491.60354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC=CC(=N2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC=CC(=N2)C3=CC=CS3

InChI

InChI=1S/C21H21N3O5S3/c1-4-28-19(26)16-12(3)17(20(27)29-5-2)32-18(16)24-15(25)11-31-21-22-9-8-13(23-21)14-7-6-10-30-14/h6-10H,4-5,11H2,1-3H3,(H,24,25)