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

Systemtic Name: diethyl 3-methyl-5-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[(4-methylpyrimidin-2-yl)thio]acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S2/c1-5-25-16(23)13-11(4)14(17(24)26-6-2)28-15(13)21-12(22)9-27-18-19-8-7-10(3)20-18/h7-8H,5-6,9H2,1-4H3,(H,21,22)