methyl 4-[[7-(1,3-benzothiazol-2-yl)-9-oxidanyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate

Systemtic Name: methyl 4-[[7-(1,3-benzothiazol-2-yl)-9-oxidanyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate Openeye Name: methyl 4-[[7-(1,3-benzothiazol-2-yl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate CAS Name: 4-[[7-(1,3-benzothiazol-2-yl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[7-(1,3-benzothiazol-2-yl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate Traditional Name: 4-[[7-(1,3-benzothiazol-2-yl)-9-hydroxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoic acid methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H22N2O4S/c1-30-25(29)17-8-6-16(7-9-17)14-27-10-11-31-23-19(15-27)12-18(13-21(23)28)24-26-20-4-2-3-5-22(20)32-24/h2-9,12-13,28H,10-11,14-15H2,1H3