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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCSC2=NC(=NC(=C2)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCSC2=NC(=NC(=C2)C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H23N3O3S2/c1-13-14(2)30-21(20(13)22(27)28-4)25-18(26)10-11-29-19-12-17(23-15(3)24-19)16-8-6-5-7-9-16/h5-9,12H,10-11H2,1-4H3,(H,25,26)