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

Systemtic Name: O2-ethyl O4-methyl 5-[3-(3-cyano-6-propyl-pyridin-2-yl)sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[3-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[(3-cyano-6-propyl-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-6-propylpyridin-2-yl)sulfanylpropanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[(3-cyano-6-propyl-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:

CCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OC

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OC

InChI

InChI=1S/C22H25N3O5S2/c1-5-7-15-9-8-14(12-23)19(24-15)31-11-10-16(26)25-20-17(21(27)29-4)13(3)18(32-20)22(28)30-6-2/h8-9H,5-7,10-11H2,1-4H3,(H,25,26)