diethyl 5-[3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylpropanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[(3-cyano-6-isobutyl-2-pyridyl)thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H29N3O5S2 MolecularWeight: 503.63416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=C(C=CC(=N2)CC(C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=C(C=CC(=N2)CC(C)C)C#N

InChI

InChI=1S/C24H29N3O5S2/c1-6-31-23(29)19-15(5)20(24(30)32-7-2)34-22(19)27-18(28)10-11-33-21-16(13-25)8-9-17(26-21)12-14(3)4/h8-9,14H,6-7,10-12H2,1-5H3,(H,27,28)