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

Systemtic Name: 10-bromanyl-2-chloranyl-7-(4-methoxyphenyl)-6-phenyl-6a,7-dihydro-6H-chromeno[3,4-c][1,5]benzothiazepine Openeye Name: 10-bromo-2-chloro-7-(4-methoxyphenyl)-6-phenyl-6a,7-dihydro-6H-chromeno[3,4-c][1,5]benzothiazepine CAS Name: 10-bromo-2-chloro-7-(4-methoxyphenyl)-6-phenyl-6a,7-dihydro-6H-[1]benzopyrano[3,4-c][1,5]benzothiazepine IUPAC Name: 10-bromo-2-chloro-7-(4-methoxyphenyl)-6-phenyl-6a,7-dihydro-6H-chromeno[3,4-c][1,5]benzothiazepine Traditional Name: 10-bromo-2-chloro-7-(4-methoxyphenyl)-6-phenyl-6a,7-dihydro-6H-chromeno[3,4-c][1,5]benzothiazepine Formula: C29H21BrClNO2S MolecularWeight: 562.90454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3C(OC4=C(C3=NC5=C(S2)C=C(C=C5)Br)C=C(C=C4)Cl)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2C3C(OC4=C(C3=NC5=C(S2)C=C(C=C5)Br)C=C(C=C4)Cl)C6=CC=CC=C6

InChI

InChI=1S/C29H21BrClNO2S/c1-33-21-11-7-18(8-12-21)29-26-27(32-23-13-9-19(30)15-25(23)35-29)22-16-20(31)10-14-24(22)34-28(26)17-5-3-2-4-6-17/h2-16,26,28-29H,1H3