methyl 3-(5-cyano-6-methoxy-4-thiophen-2-yl-pyridin-2-yl)azulene-1-carboxylate

Systemtic Name: methyl 3-(5-cyano-6-methoxy-4-thiophen-2-yl-pyridin-2-yl)azulene-1-carboxylate Openeye Name: methyl 3-[5-cyano-6-methoxy-4-(2-thienyl)-2-pyridyl]azulene-1-carboxylate CAS Name: 3-(5-cyano-6-methoxy-4-thiophen-2-yl-2-pyridinyl)-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(5-cyano-6-methoxy-4-thiophen-2-ylpyridin-2-yl)azulene-1-carboxylate Traditional Name: 3-[5-cyano-6-methoxy-4-(2-thienyl)-2-pyridyl]azulene-1-carboxylic acid methyl ester Formula: C23H16N2O3S MolecularWeight: 400.44974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=N1)C2=CC(=C3C2=CC=CC=C3)C(=O)OC)C4=CC=CS4)C#N

Isomeric SMILES

COC1=C(C(=CC(=N1)C2=CC(=C3C2=CC=CC=C3)C(=O)OC)C4=CC=CS4)C#N

InChI

InChI=1S/C23H16N2O3S/c1-27-22-19(13-24)17(21-9-6-10-29-21)12-20(25-22)16-11-18(23(26)28-2)15-8-5-3-4-7-14(15)16/h3-12H,1-2H3