2-(4-chlorophenyl)-4-methyl-pyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione

Systemtic Name: 2-(4-chlorophenyl)-4-methyl-pyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione Openeye Name: 2-(4-chlorophenyl)-4-methyl-pyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione CAS Name: 2-(4-chlorophenyl)-4-methylpyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione IUPAC Name: 2-(4-chlorophenyl)-4-methylpyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione Traditional Name: 2-(4-chlorophenyl)-4-methyl-pyrrolo[3,4-b][1,5]benzothiazepine-1,3-quinone Formula: C18H11ClN2O2S MolecularWeight: 354.81014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2SC3=C1C(=O)N(C3=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2SC3=C1C(=O)N(C3=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H11ClN2O2S/c1-10-15-16(24-14-5-3-2-4-13(14)20-10)18(23)21(17(15)22)12-8-6-11(19)7-9-12/h2-9H,1H3