ethyl (3-pentyl-5-sulfanyl-azulen-1-yl) carbonate

Systemtic Name: ethyl (3-pentyl-5-sulfanyl-azulen-1-yl) carbonate Openeye Name: ethyl (3-pentyl-5-sulfanyl-azulen-1-yl) carbonate CAS Name: carbonic acid ethyl (5-mercapto-3-pentyl-1-azulenyl) ester IUPAC Name: ethyl (3-pentyl-5-sulfanylazulen-1-yl) carbonate Traditional Name: carbonic acid (3-amyl-5-mercapto-azulen-1-yl) ethyl ester Formula: C18H22O3S MolecularWeight: 318.43048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C2C1=CC(=CC=C2)S)OC(=O)OCC

Isomeric SMILES

CCCCCC1=CC(=C2C1=CC(=CC=C2)S)OC(=O)OCC

InChI

InChI=1S/C18H22O3S/c1-3-5-6-8-13-11-17(21-18(19)20-4-2)15-10-7-9-14(22)12-16(13)15/h7,9-12,22H,3-6,8H2,1-2H3