phenyl N-[2-(3-fluoranylbenzo[b][1]benzothiepin-5-yl)sulfanylethyl]-N-methyl-carbamate

Systemtic Name: phenyl N-[2-(3-fluoranylbenzo[b][1]benzothiepin-5-yl)sulfanylethyl]-N-methyl-carbamate Openeye Name: phenyl N-[2-(3-fluorobenzo[b][1]benzothiepin-5-yl)sulfanylethyl]-N-methyl-carbamate CAS Name: N-[2-[(3-fluoro-5-benzo[b][1]benzothiepinyl)thio]ethyl]-N-methylcarbamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-fluorobenzo[b][1]benzothiepin-5-yl)sulfanylethyl]-N-methylcarbamate Traditional Name: N-[2-[(3-fluorobenzo[b][1]benzothiepin-5-yl)thio]ethyl]-N-methyl-carbamic acid phenyl ester Formula: C24H20FNO2S2 MolecularWeight: 437.549503

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCSC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)F)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CN(CCSC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)F)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H20FNO2S2/c1-26(24(27)28-19-8-3-2-4-9-19)13-14-29-23-15-17-7-5-6-10-21(17)30-22-12-11-18(25)16-20(22)23/h2-12,15-16H,13-14H2,1H3