7-(1-benzothiophen-3-yl)-4-(furan-2-ylmethyl)-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(1-benzothiophen-3-yl)-4-(furan-2-ylmethyl)-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(benzothiophen-3-yl)-4-(2-furylmethyl)-9-tetrahydrofuran-3-yloxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(1-benzothiophen-3-yl)-4-(2-furanylmethyl)-9-(3-oxolanyloxy)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(1-benzothiophen-3-yl)-4-(furan-2-ylmethyl)-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(benzothiophen-3-yl)-4-(2-furfuryl)-9-tetrahydrofuran-3-yloxy-3,5-dihydro-2H-1,4-benzoxazepine Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1OC2=CC(=CC3=C2OCCN(C3)CC4=CC=CO4)C5=CSC6=CC=CC=C65

Isomeric SMILES

C1COCC1OC2=CC(=CC3=C2OCCN(C3)CC4=CC=CO4)C5=CSC6=CC=CC=C65

InChI

InChI=1S/C26H25NO4S/c1-2-6-25-22(5-1)23(17-32-25)18-12-19-14-27(15-20-4-3-9-29-20)8-11-30-26(19)24(13-18)31-21-7-10-28-16-21/h1-6,9,12-13,17,21H,7-8,10-11,14-16H2