S-[[7-(ethanoylsulfanylmethyl)-6-methyl-azulen-5-yl]methyl] ethanethioate

Systemtic Name: S-[[7-(ethanoylsulfanylmethyl)-6-methyl-azulen-5-yl]methyl] ethanethioate Openeye Name: S-[[7-(acetylsulfanylmethyl)-6-methyl-azulen-5-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[7-[(acetylthio)methyl]-6-methyl-5-azulenyl]methyl] ester IUPAC Name: S-[[7-(acetylsulfanylmethyl)-6-methylazulen-5-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[7-[(acetylthio)methyl]-6-methyl-azulen-5-yl]methyl] ester Formula: C17H18O2S2 MolecularWeight: 318.45362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC=C2C=C1CSC(=O)C)CSC(=O)C

Isomeric SMILES

CC1=C(C=C2C=CC=C2C=C1CSC(=O)C)CSC(=O)C

InChI

InChI=1S/C17H18O2S2/c1-11-16(9-20-12(2)18)7-14-5-4-6-15(14)8-17(11)10-21-13(3)19/h4-8H,9-10H2,1-3H3