ethyl 5-[4-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoate

Systemtic Name: ethyl 5-[4-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoate Openeye Name: ethyl 5-[4-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]pyridazin-3-yl]pentanoate CAS Name: 5-[4-[2-(4,4,7-trimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridazinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoate Traditional Name: 5-[4-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]pyridazin-3-yl]valeric acid ethyl ester Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC1=C(C=CN=N1)C#CC2=CC3=C(C=C2C)SCCC3(C)C

Isomeric SMILES

CCOC(=O)CCCCC1=C(C=CN=N1)C#CC2=CC3=C(C=C2C)SCCC3(C)C

InChI

InChI=1S/C25H30N2O2S/c1-5-29-24(28)9-7-6-8-22-19(12-14-26-27-22)10-11-20-17-21-23(16-18(20)2)30-15-13-25(21,3)4/h12,14,16-17H,5-9,13,15H2,1-4H3