[6-[2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl] propanoate

Systemtic Name: [6-[2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl] propanoate Openeye Name: [6-[2-(4,4,7-triethylthiochroman-6-yl)ethynyl]-3-pyridyl] propanoate CAS Name: propanoic acid [6-[2-(4,4,7-triethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridin-3-yl] propanoate Traditional Name: propionic acid [6-[2-(4,4,7-triethylthiochroman-6-yl)ethynyl]-3-pyridyl] ester Formula: C25H29NO2S MolecularWeight: 407.56826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)OC(=O)CC)C(CCS2)(CC)CC

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=NC=C(C=C3)OC(=O)CC)C(CCS2)(CC)CC

InChI

InChI=1S/C25H29NO2S/c1-5-18-16-23-22(25(7-3,8-4)13-14-29-23)15-19(18)9-10-20-11-12-21(17-26-20)28-24(27)6-2/h11-12,15-17H,5-8,13-14H2,1-4H3