ethyl 5-[3-(6-butyl-3-cyano-pyridin-2-yl)sulfanylpropanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[3-(6-butyl-3-cyano-pyridin-2-yl)sulfanylpropanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-[(6-butyl-3-cyano-2-pyridinyl)thio]-1-oxopropyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(6-butyl-3-cyanopyridin-2-yl)sulfanylpropanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[3-[(6-butyl-3-cyano-2-pyridyl)thio]propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S2/c1-4-6-7-16-9-8-15(12-23)20(25-16)30-11-10-18(27)26-21-17(13-24)14(3)19(31-21)22(28)29-5-2/h8-9H,4-7,10-11H2,1-3H3,(H,26,27)