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

Systemtic Name: 2-(4-ethylphenyl)-4-methyl-pyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione Openeye Name: 2-(4-ethylphenyl)-4-methyl-pyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione CAS Name: 2-(4-ethylphenyl)-4-methylpyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione IUPAC Name: 2-(4-ethylphenyl)-4-methylpyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione Traditional Name: 2-(4-ethylphenyl)-4-methyl-pyrrolo[3,4-b][1,5]benzothiazepine-1,3-quinone Formula: C20H16N2O2S MolecularWeight: 348.41824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)SC4=CC=CC=C4N=C3C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)SC4=CC=CC=C4N=C3C

InChI

InChI=1S/C20H16N2O2S/c1-3-13-8-10-14(11-9-13)22-19(23)17-12(2)21-15-6-4-5-7-16(15)25-18(17)20(22)24/h4-11H,3H2,1-2H3