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

Systemtic Name: ethyl 5-[2-(6-butyl-3-cyano-pyridin-2-yl)sulfanylbutanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[(6-butyl-3-cyano-2-pyridinyl)thio]-1-oxobutyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(6-butyl-3-cyanopyridin-2-yl)sulfanylbutanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[2-[(6-butyl-3-cyano-2-pyridyl)thio]butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3S2/c1-5-8-9-16-11-10-15(12-24)21(26-16)31-18(6-2)20(28)27-22-17(13-25)14(4)19(32-22)23(29)30-7-3/h10-11,18H,5-9H2,1-4H3,(H,27,28)