pyridin-3-yl 4-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)but-3-ynoate

Systemtic Name: pyridin-3-yl 4-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)but-3-ynoate Openeye Name: 3-pyridyl 4-(4,4-diethylthiochroman-6-yl)but-3-ynoate CAS Name: 4-(4,4-diethyl-2,3-dihydro-1-benzothiopyran-6-yl)-3-butynoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 4-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)but-3-ynoate Traditional Name: 4-(4,4-diethylthiochroman-6-yl)but-3-ynoic acid 3-pyridyl ester Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C=C2)C#CCC(=O)OC3=CN=CC=C3)CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C=C2)C#CCC(=O)OC3=CN=CC=C3)CC

InChI

InChI=1S/C22H23NO2S/c1-3-22(4-2)12-14-26-20-11-10-17(15-19(20)22)7-5-9-21(24)25-18-8-6-13-23-16-18/h6,8,10-11,13,15-16H,3-4,9,12,14H2,1-2H3