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BM5

Summary
Name:(R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER
Synonyms:BM +50.0934
Formula:C18 H15 N O3 S
Formal charge:0
Formula weight:325.382 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04methyl (3R,9bR)-5-oxo-9b-phenyl-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxylate
OpenEye OEToolkits1.5.0methyl (3R,9bR)-5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2c1c(cccc1)C3(SCC(N23)C(=O)OC)c4ccccc4
SMILES_CANONICALCACTVS3.341COC(=O)[C@@H]1CS[C@]2(N1C(=O)c3ccccc23)c4ccccc4
SMILESCACTVS3.341COC(=O)[CH]1CS[C]2(N1C(=O)c3ccccc23)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.5.0COC(=O)[C@@H]1CS[C@]2(N1C(=O)c3c2cccc3)c4ccccc4
SMILESOpenEye OEToolkits1.5.0COC(=O)C1CSC2(N1C(=O)c3c2cccc3)c4ccccc4
InChIInChI1.03InChI=1S/C18H15NO3S/c1-22-17(21)15-11-23-18(12-7-3-2-4-8-12)14-10-6-5-9-13(14)16(20)19(15)18/h2-10,15H,11H2,1H3/t15-,18+/m0/s1
InChIKeyInChI1.03JYIHODAXBBPFQF-MAUKXSAKSA-N

222415

PDB entries from 2024-07-10

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