ethyl 4,5-dimethyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[2-[(6-methylpyrimidin-4-yl)thio]propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)SC2=NC=NC(=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)SC2=NC=NC(=C2)C

InChI

InChI=1S/C17H21N3O3S2/c1-6-23-17(22)14-10(3)11(4)25-16(14)20-15(21)12(5)24-13-7-9(2)18-8-19-13/h7-8,12H,6H2,1-5H3,(H,20,21)