ethyl [3-(2-methylpropyl)-5-sulfanyl-azulen-1-yl] carbonate

Systemtic Name: ethyl [3-(2-methylpropyl)-5-sulfanyl-azulen-1-yl] carbonate Openeye Name: ethyl (3-isobutyl-5-sulfanyl-azulen-1-yl) carbonate CAS Name: carbonic acid ethyl [5-mercapto-3-(2-methylpropyl)-1-azulenyl] ester IUPAC Name: ethyl [3-(2-methylpropyl)-5-sulfanylazulen-1-yl] carbonate Traditional Name: carbonic acid ethyl (3-isobutyl-5-mercapto-azulen-1-yl) ester Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C2C=CC=C(C=C2C(=C1)CC(C)C)S

Isomeric SMILES

CCOC(=O)OC1=C2C=CC=C(C=C2C(=C1)CC(C)C)S

InChI

InChI=1S/C17H20O3S/c1-4-19-17(18)20-16-9-12(8-11(2)3)15-10-13(21)6-5-7-14(15)16/h5-7,9-11,21H,4,8H2,1-3H3