phenyl N-[2-(3-fluoranyl-8-methoxy-benzo[b][1]benzoxepin-5-yl)sulfanylethyl]-N-methyl-carbamate

Systemtic Name: phenyl N-[2-(3-fluoranyl-8-methoxy-benzo[b][1]benzoxepin-5-yl)sulfanylethyl]-N-methyl-carbamate Openeye Name: phenyl N-[2-(3-fluoro-8-methoxy-benzo[b][1]benzoxepin-5-yl)sulfanylethyl]-N-methyl-carbamate CAS Name: N-[2-[(3-fluoro-8-methoxy-5-benzo[b][1]benzoxepinyl)thio]ethyl]-N-methylcarbamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-fluoro-8-methoxybenzo[b][1]benzoxepin-5-yl)sulfanylethyl]-N-methylcarbamate Traditional Name: N-[2-[(3-fluoro-8-methoxy-benzo[b][1]benzoxepin-5-yl)thio]ethyl]-N-methyl-carbamic acid phenyl ester Formula: C25H22FNO4S MolecularWeight: 451.509883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCSC1=CC2=C(C=CC(=C2)OC)OC3=C1C=C(C=C3)F)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CN(CCSC1=CC2=C(C=CC(=C2)OC)OC3=C1C=C(C=C3)F)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H22FNO4S/c1-27(25(28)30-19-6-4-3-5-7-19)12-13-32-24-15-17-14-20(29-2)9-11-22(17)31-23-10-8-18(26)16-21(23)24/h3-11,14-16H,12-13H2,1-2H3