ethyl 4-cyano-3-methyl-5-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-[(4-methylpyrimidin-2-yl)thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC=CC(=N2)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC=CC(=N2)C)C#N)C

InChI

InChI=1S/C16H16N4O3S2/c1-4-23-15(22)13-10(3)11(7-17)14(25-13)20-12(21)8-24-16-18-6-5-9(2)19-16/h5-6H,4,8H2,1-3H3,(H,20,21)