2-[2-[2-(4-methoxyphenyl)-3-oxidanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-methyl-amino]ethanamide

Systemtic Name: 2-[2-[2-(4-methoxyphenyl)-3-oxidanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-methyl-amino]ethanamide Openeye Name: 2-[2-[3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-methyl-amino]acetamide CAS Name: 2-[2-[3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-methylamino]acetamide IUPAC Name: 2-[2-[3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-methylamino]acetamide Traditional Name: 2-[2-[3-hydroxy-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-methyl-amino]acetamide Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-23(13-18(22)25)11-12-24-16-5-3-4-6-17(16)29-20(19(26)21(24)27)14-7-9-15(28-2)10-8-14/h3-10,19-20,26H,11-13H2,1-2H3,(H2,22,25)