DRETWWPBMDMJFM-UHFFFAOYSA-N
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Catalog Number: M233147
PubChem Substance ID:363421737
Molecular Formula: C31H24ClNO2S
Molecular Weight:510.048
Purity: ≥95%
* For research use only. Not for human or veterinary use.
Property
Molecular Formula: | C31H24ClNO2S |
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Molecular Weight | 510.048 |
Purity | ≥95% |
Computed Descriptor
IUPAC Name | 6-(3-chlorophenyl)-3-methyl-2,4a-diphenyl-5,6-dihydro-[1,3]oxazino[2,3-d][1,5]benzothiazepin-1-one |
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InChI | InChI=1S/C31H24ClNO2S/c1-21-29(22-11-4-2-5-12-22)30(34)33-26-17-8-9-18-27(26)36-28(23-13-10-16-25(32)19-23)20-31(33,35-21)24-14-6-3-7-15-24/h2-19,28H,20H2,1H3 |
InChIKey | DRETWWPBMDMJFM-UHFFFAOYSA-N |
SMILES | CC1=C(C(=O)N2C3=CC=CC=C3SC(CC2(O1)C4=CC=CC=C4)C5=CC(=CC=C5)Cl)C6=CC=CC=C6 |