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

Systemtic Name: ethyl 6-[2-[2,2-dimethyl-4-(4-methylphenyl)thiochromen-6-yl]ethynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[2-[2,2-dimethyl-4-(p-tolyl)thiochromen-6-yl]ethynyl]pyridine-3-carboxylate CAS Name: 6-[2-[2,2-dimethyl-4-(4-methylphenyl)-1-benzothiopyran-6-yl]ethynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[2,2-dimethyl-4-(4-methylphenyl)thiochromen-6-yl]ethynyl]pyridine-3-carboxylate Traditional Name: 6-[2-[2,2-dimethyl-4-(p-tolyl)thiochromen-6-yl]ethynyl]nicotinic acid ethyl ester Formula: C28H25NO2S MolecularWeight: 439.5686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SC(C=C3C4=CC=C(C=C4)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SC(C=C3C4=CC=C(C=C4)C)(C)C

InChI

InChI=1S/C28H25NO2S/c1-5-31-27(30)22-12-14-23(29-18-22)13-8-20-9-15-26-24(16-20)25(17-28(3,4)32-26)21-10-6-19(2)7-11-21/h6-7,9-12,14-18H,5H2,1-4H3