7-(2-methylphenyl)-9-[(3S)-oxolan-3-yl]oxy-4-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(2-methylphenyl)-9-[(3S)-oxolan-3-yl]oxy-4-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(o-tolyl)-9-[(3S)-tetrahydrofuran-3-yl]oxy-4-(2-thienylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(2-methylphenyl)-9-[[(3S)-3-oxolanyl]oxy]-4-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(2-methylphenyl)-9-[(3S)-oxolan-3-yl]oxy-4-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(o-tolyl)-9-[(3S)-tetrahydrofuran-3-yl]oxy-4-(2-thenyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC4CCOC4)OCCN(C3)CC5=CC=CS5

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C(=C2)O[C@H]4CCOC4)OCCN(C3)CC5=CC=CS5

InChI

InChI=1S/C25H27NO3S/c1-18-5-2-3-7-23(18)19-13-20-15-26(16-22-6-4-12-30-22)9-11-28-25(20)24(14-19)29-21-8-10-27-17-21/h2-7,12-14,21H,8-11,15-17H2,1H3/t21-/m0/s1