ethyl 3-[2-(3-cyanopyridin-2-yl)sulfanylethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(3-cyanopyridin-2-yl)sulfanylethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[(3-cyano-2-pyridyl)sulfanyl]acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[(3-cyano-2-pyridinyl)thio]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-cyanopyridin-2-yl)sulfanylacetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[(3-cyano-2-pyridyl)thio]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=C(C=CC=N3)C#N

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=C(C=CC=N3)C#N

InChI

InChI=1S/C21H17N3O3S2/c1-2-27-21(26)19-16(11-17(29-19)14-7-4-3-5-8-14)24-18(25)13-28-20-15(12-22)9-6-10-23-20/h3-11H,2,13H2,1H3,(H,24,25)