2-(2,4-dichlorophenyl)-5-(2-morpholin-4-ylethyl)-1,5-benzothiazepine-3,4-dione

Systemtic Name: 2-(2,4-dichlorophenyl)-5-(2-morpholin-4-ylethyl)-1,5-benzothiazepine-3,4-dione Openeye Name: 2-(2,4-dichlorophenyl)-5-(2-morpholinoethyl)-1,5-benzothiazepine-3,4-dione CAS Name: 2-(2,4-dichlorophenyl)-5-[2-(4-morpholinyl)ethyl]-1,5-benzothiazepine-3,4-dione IUPAC Name: 2-(2,4-dichlorophenyl)-5-(2-morpholin-4-ylethyl)-1,5-benzothiazepine-3,4-dione Traditional Name: 2-(2,4-dichlorophenyl)-5-(2-morpholinoethyl)-1,5-benzothiazepine-3,4-quinone Formula: C21H20Cl2N2O3S MolecularWeight: 451.3661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN2C3=CC=CC=C3SC(C(=O)C2=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1COCCN1CCN2C3=CC=CC=C3SC(C(=O)C2=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H20Cl2N2O3S/c22-14-5-6-15(16(23)13-14)20-19(26)21(27)25(8-7-24-9-11-28-12-10-24)17-3-1-2-4-18(17)29-20/h1-6,13,20H,7-12H2