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

Systemtic Name: 5-(2-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1,5-benzothiazepine-3,4-dione Openeye Name: 5-(2-morpholinoethyl)-2-(3,4,5-trimethoxyphenyl)-1,5-benzothiazepine-3,4-dione CAS Name: 5-[2-(4-morpholinyl)ethyl]-2-(3,4,5-trimethoxyphenyl)-1,5-benzothiazepine-3,4-dione IUPAC Name: 5-(2-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)-1,5-benzothiazepine-3,4-dione Traditional Name: 5-(2-morpholinoethyl)-2-(3,4,5-trimethoxyphenyl)-1,5-benzothiazepine-3,4-quinone Formula: C24H28N2O6S MolecularWeight: 472.55392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(=O)C(=O)N(C3=CC=CC=C3S2)CCN4CCOCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C(=O)C(=O)N(C3=CC=CC=C3S2)CCN4CCOCC4

InChI

InChI=1S/C24H28N2O6S/c1-29-18-14-16(15-19(30-2)22(18)31-3)23-21(27)24(28)26(9-8-25-10-12-32-13-11-25)17-6-4-5-7-20(17)33-23/h4-7,14-15,23H,8-13H2,1-3H3