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

Systemtic Name: ethyl 5-[5-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophen-2-yl]pentanoate Openeye Name: ethyl 5-[5-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]-2-thienyl]pentanoate CAS Name: 5-[5-[2-(4,4-diethyl-7-methyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-thiophenyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[5-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]thiophen-2-yl]pentanoate Traditional Name: 5-[5-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]-2-thienyl]valeric acid ethyl ester Formula: C27H34O2S2 MolecularWeight: 454.68766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C(=C2)C)C#CC3=CC=C(S3)CCCCC(=O)OCC)CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C(=C2)C)C#CC3=CC=C(S3)CCCCC(=O)OCC)CC

InChI

InChI=1S/C27H34O2S2/c1-5-27(6-2)16-17-30-25-18-20(4)21(19-24(25)27)12-13-23-15-14-22(31-23)10-8-9-11-26(28)29-7-3/h14-15,18-19H,5-11,16-17H2,1-4H3