5-(2-dimethylaminoethyl)-3-oxidanyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrobromide

Systemtic Name: 5-(2-dimethylaminoethyl)-3-oxidanyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrobromide Openeye Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrobromide CAS Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrobromide IUPAC Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrobromide Traditional Name: 5-(2-dimethylaminoethyl)-3-hydroxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one hydrobromide Formula: C22H29BrN2O5S MolecularWeight: 513.44506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC(=C(C(=C3)OC)OC)OC.Br

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC(=C(C(=C3)OC)OC)OC.Br

InChI

InChI=1S/C22H28N2O5S.BrH/c1-23(2)10-11-24-15-8-6-7-9-18(15)30-21(19(25)22(24)26)14-12-16(27-3)20(29-5)17(13-14)28-4;/h6-9,12-13,19,21,25H,10-11H2,1-5H3;1H