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

Systemtic Name: ethyl 6-[2-(2,2-diethyl-4,4-dimethyl-3H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(2,2-diethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-(2,2-diethyl-4,4-dimethyl-3H-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(2,2-diethyl-4,4-dimethyl-3H-thiochromen-6-yl)ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-(2,2-diethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]nicotinic acid ethyl ester Formula: C25H29NO2S MolecularWeight: 407.56826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C2=C(S1)C=CC(=C2)C#CC3=NC=C(C=C3)C(=O)OCC)(C)C)CC

Isomeric SMILES

CCC1(CC(C2=C(S1)C=CC(=C2)C#CC3=NC=C(C=C3)C(=O)OCC)(C)C)CC

InChI

InChI=1S/C25H29NO2S/c1-6-25(7-2)17-24(4,5)21-15-18(10-14-22(21)29-25)9-12-20-13-11-19(16-26-20)23(27)28-8-3/h10-11,13-16H,6-8,17H2,1-5H3