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

Systemtic Name: 2-(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)-1,5-benzothiazepine-3,4-dione Openeye Name: 2-(4-chlorophenyl)-5-(2-morpholinoethyl)-1,5-benzothiazepine-3,4-dione CAS Name: 2-(4-chlorophenyl)-5-[2-(4-morpholinyl)ethyl]-1,5-benzothiazepine-3,4-dione IUPAC Name: 2-(4-chlorophenyl)-5-(2-morpholin-4-ylethyl)-1,5-benzothiazepine-3,4-dione Traditional Name: 2-(4-chlorophenyl)-5-(2-morpholinoethyl)-1,5-benzothiazepine-3,4-quinone Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3S/c22-16-7-5-15(6-8-16)20-19(25)21(26)24(10-9-23-11-13-27-14-12-23)17-3-1-2-4-18(17)28-20/h1-8,20H,9-14H2