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

Systemtic Name: diethyl 5-[3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[(3-cyano-6-phenyl-2-pyridinyl)thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(3-cyano-6-phenylpyridin-2-yl)sulfanylpropanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[(3-cyano-6-phenyl-2-pyridyl)thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H25N3O5S2 MolecularWeight: 523.6238

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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)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C26H25N3O5S2/c1-4-33-25(31)21-16(3)22(26(32)34-5-2)36-24(21)29-20(30)13-14-35-23-18(15-27)11-12-19(28-23)17-9-7-6-8-10-17/h6-12H,4-5,13-14H2,1-3H3,(H,29,30)