2-fluoranyl-7-(4-methoxyphenyl)-6a,7-dihydro-6H-chromeno[3,4-c][1,5]benzothiazepine

Systemtic Name: 2-fluoranyl-7-(4-methoxyphenyl)-6a,7-dihydro-6H-chromeno[3,4-c][1,5]benzothiazepine Openeye Name: 2-fluoro-7-(4-methoxyphenyl)-6a,7-dihydro-6H-chromeno[3,4-c][1,5]benzothiazepine CAS Name: 2-fluoro-7-(4-methoxyphenyl)-6a,7-dihydro-6H-[1]benzopyrano[3,4-c][1,5]benzothiazepine IUPAC Name: 2-fluoro-7-(4-methoxyphenyl)-6a,7-dihydro-6H-chromeno[3,4-c][1,5]benzothiazepine Traditional Name: 2-fluoro-7-(4-methoxyphenyl)-6a,7-dihydro-6H-chromeno[3,4-c][1,5]benzothiazepine Formula: C23H18FNO2S MolecularWeight: 391.457923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3COC4=C(C3=NC5=CC=CC=C5S2)C=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C2C3COC4=C(C3=NC5=CC=CC=C5S2)C=C(C=C4)F

InChI

InChI=1S/C23H18FNO2S/c1-26-16-9-6-14(7-10-16)23-18-13-27-20-11-8-15(24)12-17(20)22(18)25-19-4-2-3-5-21(19)28-23/h2-12,18,23H,13H2,1H3