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

Systemtic Name: 9-methoxy-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-methoxy-4-[(1-thiazol-2-ylpyrrol-2-yl)methyl]-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-4-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-methoxy-4-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-methoxy-4-[(1-thiazol-2-ylpyrrol-2-yl)methyl]-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=CN3C4=NC=CS4)C5=CC=CS5

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=CN3C4=NC=CS4)C5=CC=CS5

InChI

InChI=1S/C22H21N3O2S2/c1-26-19-13-16(20-5-3-10-28-20)12-17-14-24(8-9-27-21(17)19)15-18-4-2-7-25(18)22-23-6-11-29-22/h2-7,10-13H,8-9,14-15H2,1H3