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名称: tert-butyl 2-[5-methyl-2-oxo-5-(1,3-thiazol-2-yl)-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl]-1H-pyrrole-1-carboxylate

IUPAC: tert-butyl 2-[5-methyl-2-oxo-5-(1,3-thiazol-2-yl)-1H-4,1-benzoxazepin-7-yl]pyrrole-1-carboxylate

SMILES: CC(C)(C)OC(=O)n1cccc1-c1ccc2c(c1)C(C)(c1nccs1)OCC(=O)N2

Canonical SMILES: CC1(C2=C(C=CC(=C2)C3=CC=CN3C(=O)OC(C)(C)C)NC(=O)CO1)C4=NC=CS4

分子式: C22H23N3O4S

分子量: 425.50

InChIKey: TWJJAORGDYDBCY-UHFFFAOYSA-N

InChI: InChI=1S/C22H23N3O4S/c1-21(2,3)29-20(27)25-10-5-6-17(25)14-7-8-16-15(12-14)22(4,19-23-9-11-30-19)28-13-18(26)24-16/h5-12H,13H2,1-4H3,(H,24,26)

PubChem CID: 68866077 →

同义词

SCHEMBL3987353TWJJAORGDYDBCY-UHFFFAOYSA-Ntert-butyl 2-[5-methyl-2-oxo-5-(1,3-thiazol-2-yl)-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl]-1H-pyrrole-1-carboxylate

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