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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

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