4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol

Systemtic Name: 4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 4-[(1-thiazol-2-ylpyrrol-2-yl)methyl]-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 4-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 4-[(1-thiazol-2-ylpyrrol-2-yl)methyl]-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1CC3=CC=CN3C4=NC=CS4)C=C(C=C2O)C5=CC=CS5

Isomeric SMILES

C1COC2=C(CN1CC3=CC=CN3C4=NC=CS4)C=C(C=C2O)C5=CC=CS5

InChI

InChI=1S/C21H19N3O2S2/c25-18-12-15(19-4-2-9-27-19)11-16-13-23(7-8-26-20(16)18)14-17-3-1-6-24(17)21-22-5-10-28-21/h1-6,9-12,25H,7-8,13-14H2