3-[4-(5-propan-2-yl-1,3-dithian-2-yl)phenyl]prop-2-ynyl ethanoate

Systemtic Name: 3-[4-(5-propan-2-yl-1,3-dithian-2-yl)phenyl]prop-2-ynyl ethanoate Openeye Name: 3-[4-(5-isopropyl-1,3-dithian-2-yl)phenyl]prop-2-ynyl acetate CAS Name: acetic acid 3-[4-(5-propan-2-yl-1,3-dithian-2-yl)phenyl]prop-2-ynyl ester IUPAC Name: 3-[4-(5-propan-2-yl-1,3-dithian-2-yl)phenyl]prop-2-ynyl acetate Traditional Name: acetic acid 3-[4-(5-isopropyl-1,3-dithian-2-yl)phenyl]prop-2-ynyl ester Formula: C18H22O2S2 MolecularWeight: 334.49608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CSC(SC1)C2=CC=C(C=C2)C#CCOC(=O)C

Isomeric SMILES

CC(C)C1CSC(SC1)C2=CC=C(C=C2)C#CCOC(=O)C

InChI

InChI=1S/C18H22O2S2/c1-13(2)17-11-21-18(22-12-17)16-8-6-15(7-9-16)5-4-10-20-14(3)19/h6-9,13,17-18H,10-12H2,1-3H3