ethyl 5-cyano-6-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(7-ethyl-2-oxo-chromen-4-yl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylthio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(7-ethyl-2-oxochromen-4-yl)methylsulfanyl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[(7-ethyl-2-keto-chromen-4-yl)methylthio]-2-methyl-nicotinic acid ethyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=C(C=C3C#N)C(=O)OCC)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=C(C=C3C#N)C(=O)OCC)C

InChI

InChI=1S/C22H20N2O4S/c1-4-14-6-7-17-16(10-20(25)28-19(17)8-14)12-29-21-15(11-23)9-18(13(3)24-21)22(26)27-5-2/h6-10H,4-5,12H2,1-3H3