2-(4-nitrophenyl)-4-[4-[2-[4-[2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]ethyl]phenyl]-2,3-dihydro-1,5-benzothiazepine

Systemtic Name: 2-(4-nitrophenyl)-4-[4-[2-[4-[2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]ethyl]phenyl]-2,3-dihydro-1,5-benzothiazepine Openeye Name: 2-(4-nitrophenyl)-4-[4-[2-[4-[2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]ethyl]phenyl]-2,3-dihydro-1,5-benzothiazepine CAS Name: 2-(4-nitrophenyl)-4-[4-[2-[4-[2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]ethyl]phenyl]-2,3-dihydro-1,5-benzothiazepine IUPAC Name: 2-(4-nitrophenyl)-4-[4-[2-[4-[2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]ethyl]phenyl]-2,3-dihydro-1,5-benzothiazepine Traditional Name: 2-(4-nitrophenyl)-4-[4-[2-[4-[2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]ethyl]phenyl]-2,3-dihydro-1,5-benzothiazepine Formula: C44H34N4O4S2 MolecularWeight: 746.89516

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N=C1C3=CC=C(C=C3)CCC4=CC=C(C=C4)C5=NC6=CC=CC=C6SC(C5)C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)[N+](=O)[O-]

Isomeric SMILES

C1C(SC2=CC=CC=C2N=C1C3=CC=C(C=C3)CCC4=CC=C(C=C4)C5=NC6=CC=CC=C6SC(C5)C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)[N+](=O)[O-]

InChI

InChI=1S/C44H34N4O4S2/c49-47(50)35-23-19-33(20-24-35)43-27-39(45-37-5-1-3-7-41(37)53-43)31-15-11-29(12-16-31)9-10-30-13-17-32(18-14-30)40-28-44(34-21-25-36(26-22-34)48(51)52)54-42-8-4-2-6-38(42)46-40/h1-8,11-26,43-44H,9-10,27-28H2