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

Systemtic Name: ethyl 4-cyano-5-[3-(3-cyano-6-methyl-pyridin-2-yl)sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]propanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-[(3-cyano-6-methyl-2-pyridinyl)thio]-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-(3-cyano-6-methylpyridin-2-yl)sulfanylpropanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-[(3-cyano-6-methyl-2-pyridyl)thio]propanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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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#N)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S2/c1-4-26-19(25)16-12(3)14(10-21)18(28-16)23-15(24)7-8-27-17-13(9-20)6-5-11(2)22-17/h5-6H,4,7-8H2,1-3H3,(H,23,24)