O2-ethyl O4-methyl 5-[3-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 5-[3-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[3-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[3-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylpropanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC(=C(C(=C2C#N)C)C)C)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC(=C(C(=C2C#N)C)C)C)C(=O)OC)C

InChI

InChI=1S/C22H25N3O5S2/c1-7-30-22(28)18-13(4)17(21(27)29-6)20(32-18)25-16(26)8-9-31-19-15(10-23)12(3)11(2)14(5)24-19/h7-9H2,1-6H3,(H,25,26)