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

Systemtic Name: 7-(1-benzothiophen-3-yl)-4-(furan-3-ylmethyl)-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(benzothiophen-3-yl)-4-(3-furylmethyl)-9-tetrahydrofuran-3-yloxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(1-benzothiophen-3-yl)-4-(3-furanylmethyl)-9-(3-oxolanyloxy)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(1-benzothiophen-3-yl)-4-(furan-3-ylmethyl)-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(benzothiophen-3-yl)-4-(3-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=COC=C4)C5=CSC6=CC=CC=C65

Isomeric SMILES

C1COCC1OC2=CC(=CC3=C2OCCN(C3)CC4=COC=C4)C5=CSC6=CC=CC=C65

InChI

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