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

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S2/c1-5-28-21(27)19-14(3)15(4)30-20(19)25-18(26)12-29-22-23-13(2)11-17(24-22)16-9-7-6-8-10-16/h6-11H,5,12H2,1-4H3,(H,25,26)