ethyl 8-methyl-3-methylsulfanyl-4,5-dihydro-[1]benzothiepino[4,5-c]furan-1-carboxylate

Systemtic Name: ethyl 8-methyl-3-methylsulfanyl-4,5-dihydro-[1]benzothiepino[4,5-c]furan-1-carboxylate Openeye Name: ethyl 8-methyl-3-methylsulfanyl-4,5-dihydro-[1]benzothiepino[4,5-c]furan-1-carboxylate CAS Name: 8-methyl-3-(methylthio)-4,5-dihydro-[1]benzothiepino[4,5-c]furan-1-carboxylic acid ethyl ester IUPAC Name: ethyl 8-methyl-3-methylsulfanyl-4,5-dihydro-[1]benzothiepino[4,5-c]furan-1-carboxylate Traditional Name: 8-methyl-3-(methylthio)-4,5-dihydro-[1]benzothiepino[4,5-c]furan-1-carboxylic acid ethyl ester Formula: C17H18O3S2 MolecularWeight: 334.45302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(O1)SC)CCSC3=C2C=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=C2C(=C(O1)SC)CCSC3=C2C=CC(=C3)C

InChI

InChI=1S/C17H18O3S2/c1-4-19-16(18)15-14-11-6-5-10(2)9-13(11)22-8-7-12(14)17(20-15)21-3/h5-6,9H,4,7-8H2,1-3H3