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

Systemtic Name: ethyl 5-[6-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoate Openeye Name: ethyl 5-[6-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]pyridazin-3-yl]pentanoate CAS Name: 5-[6-[2-(4,4-diethyl-7-methyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridazinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[6-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridazin-3-yl]pentanoate Traditional Name: 5-[6-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]pyridazin-3-yl]valeric acid ethyl ester Formula: C27H34N2O2S MolecularWeight: 450.63606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C(=C2)C)C#CC3=NN=C(C=C3)CCCCC(=O)OCC)CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C(=C2)C)C#CC3=NN=C(C=C3)CCCCC(=O)OCC)CC

InChI

InChI=1S/C27H34N2O2S/c1-5-27(6-2)16-17-32-25-18-20(4)21(19-24(25)27)12-13-23-15-14-22(28-29-23)10-8-9-11-26(30)31-7-3/h14-15,18-19H,5-11,16-17H2,1-4H3