2-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]benzaldehyde

Systemtic Name: 2-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]benzaldehyde Openeye Name: 2-[3-(4,4-dimethylthiochroman-8-yl)prop-1-ynyl]benzaldehyde CAS Name: 2-[3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)prop-1-ynyl]benzaldehyde IUPAC Name: 2-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]benzaldehyde Traditional Name: 2-[3-(4,4-dimethylthiochroman-8-yl)prop-1-ynyl]benzaldehyde Formula: C21H20OS MolecularWeight: 320.4479

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=CC=C2CC#CC3=CC=CC=C3C=O)C

Isomeric SMILES

CC1(CCSC2=C1C=CC=C2CC#CC3=CC=CC=C3C=O)C

InChI

InChI=1S/C21H20OS/c1-21(2)13-14-23-20-17(11-6-12-19(20)21)10-5-9-16-7-3-4-8-18(16)15-22/h3-4,6-8,11-12,15H,10,13-14H2,1-2H3