ethyl 6-[2-(2,2-dimethyl-4-oxidanylidene-3H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-(2,2-dimethyl-4-oxidanylidene-3H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(2,2-dimethyl-4-oxo-thiochroman-6-yl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-(2,2-dimethyl-4-oxo-3H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(2,2-dimethyl-4-oxo-3H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(4-keto-2,2-dimethyl-thiochroman-6-yl)ethynyl]nicotinic acid ethyl ester Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SC(CC3=O)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SC(CC3=O)(C)C

InChI

InChI=1S/C21H19NO3S/c1-4-25-20(24)15-7-9-16(22-13-15)8-5-14-6-10-19-17(11-14)18(23)12-21(2,3)26-19/h6-7,9-11,13H,4,12H2,1-3H3