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

Systemtic Name: O2-ethyl O4-methyl 5-[3-(6-butyl-3-cyano-pyridin-2-yl)sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[(6-butyl-3-cyano-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-(6-butyl-3-cyanopyridin-2-yl)sulfanylpropanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[(6-butyl-3-cyano-2-pyridyl)thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OC

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OC

InChI

InChI=1S/C23H27N3O5S2/c1-5-7-8-16-10-9-15(13-24)20(25-16)32-12-11-17(27)26-21-18(22(28)30-4)14(3)19(33-21)23(29)31-6-2/h9-10H,5-8,11-12H2,1-4H3,(H,26,27)