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

Systemtic Name: O2-ethyl O4-methyl 5-[3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 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 O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 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 O2-ethyl ester O4-methyl ester Formula: C25H23N3O5S2 MolecularWeight: 509.59722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N)C(=O)OC)C

InChI

InChI=1S/C25H23N3O5S2/c1-4-33-25(31)21-15(2)20(24(30)32-3)23(35-21)28-19(29)12-13-34-22-17(14-26)10-11-18(27-22)16-8-6-5-7-9-16/h5-11H,4,12-13H2,1-3H3,(H,28,29)