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

Systemtic Name: O2-ethyl O4-methyl 5-[3-(3-cyano-6-methyl-pyridin-2-yl)sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[3-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[(3-cyano-6-methyl-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-methylpyridin-2-yl)sulfanylpropanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[(3-cyano-6-methyl-2-pyridyl)thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S2/c1-5-28-20(26)16-12(3)15(19(25)27-4)18(30-16)23-14(24)8-9-29-17-13(10-21)7-6-11(2)22-17/h6-7H,5,8-9H2,1-4H3,(H,23,24)