1-(4-ethoxyphenyl)-4,10a-diphenyl-5H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione

Systemtic Name: 1-(4-ethoxyphenyl)-4,10a-diphenyl-5H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione Openeye Name: 1-(4-ethoxyphenyl)-4,10a-diphenyl-5H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione CAS Name: 1-(4-ethoxyphenyl)-4,10a-diphenyl-5H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione IUPAC Name: 1-(4-ethoxyphenyl)-4,10a-diphenyl-5H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione Traditional Name: 4,10a-diphenyl-1-p-phenetyl-5H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-quinone Formula: C31H24N2O3S MolecularWeight: 504.59886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=O)C3=C(NC4=CC=CC=C4SC32C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=O)C3=C(NC4=CC=CC=C4SC32C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H24N2O3S/c1-2-36-24-19-17-23(18-20-24)33-30(35)29(34)27-28(21-11-5-3-6-12-21)32-25-15-9-10-16-26(25)37-31(27,33)22-13-7-4-8-14-22/h3-20,32H,2H2,1H3