ethyl 4-cyano-3-methyl-5-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C#N)C

InChI

InChI=1S/C22H20N4O3S2/c1-4-29-21(28)19-14(3)16(11-23)20(31-19)26-18(27)12-30-22-24-13(2)10-17(25-22)15-8-6-5-7-9-15/h5-10H,4,12H2,1-3H3,(H,26,27)