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BM1

Summary
Name:(R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-5(9BH)-ONE
Synonyms:BM+21.1326
Formula:C17 H15 N O S
Formal charge:0
Formula weight:281.372 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(9bR)-9b-(3-methylphenyl)-2,3-dihydro[1,3]thiazolo[2,3-a]isoindol-5(9bH)-one
OpenEye OEToolkits1.5.0(9bR)-9b-(3-methylphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-b]isoindol-5-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2c1c(cccc1)C3(SCCN23)c4cccc(c4)C
SMILES_CANONICALCACTVS3.341Cc1cccc(c1)[C@]23SCCN2C(=O)c4ccccc34
SMILESCACTVS3.341Cc1cccc(c1)[C]23SCCN2C(=O)c4ccccc34
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1cccc(c1)[C@@]23c4ccccc4C(=O)N2CCS3
SMILESOpenEye OEToolkits1.5.0Cc1cccc(c1)C23c4ccccc4C(=O)N2CCS3
InChIInChI1.03InChI=1S/C17H15NOS/c1-12-5-4-6-13(11-12)17-15-8-3-2-7-14(15)16(19)18(17)9-10-20-17/h2-8,11H,9-10H2,1H3/t17-/m1/s1
InChIKeyInChI1.03FQVDJZWFSZSGGA-QGZVFWFLSA-N

221716

PDB entries from 2024-06-26

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