ethyl 5-[[[3-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butanoyl]-1,3-thiazolidin-2-yl]carbonylamino]methyl]-1,3-benzodioxole-2-carboxylate hydrochloride

Systemtic Name: ethyl 5-[[[3-[(3R)-3-azanyl-4-[2,4,5-tris(fluoranyl)phenyl]butanoyl]-1,3-thiazolidin-2-yl]carbonylamino]methyl]-1,3-benzodioxole-2-carboxylate hydrochloride Openeye Name: ethyl 5-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]thiazolidine-2-carbonyl]amino]methyl]-1,3-benzodioxole-2-carboxylate hydrochloride CAS Name: 5-[[[[3-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-2-thiazolidinyl]-oxomethyl]amino]methyl]-1,3-benzodioxole-2-carboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidine-2-carbonyl]amino]methyl]-1,3-benzodioxole-2-carboxylate hydrochloride Traditional Name: 5-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]thiazolidine-2-carbonyl]amino]methyl]-1,3-benzodioxole-2-carboxylic acid ethyl ester hydrochloride Formula: C25H27ClF3N3O6S MolecularWeight: 590.01159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1OC2=C(O1)C=C(C=C2)CNC(=O)C3N(CCS3)C(=O)CC(CC4=CC(=C(C=C4F)F)F)N.Cl

Isomeric SMILES

CCOC(=O)C1OC2=C(O1)C=C(C=C2)CNC(=O)C3N(CCS3)C(=O)C[C@@H](CC4=CC(=C(C=C4F)F)F)N.Cl

InChI

InChI=1S/C25H26F3N3O6S.ClH/c1-2-35-24(34)25-36-19-4-3-13(7-20(19)37-25)12-30-22(33)23-31(5-6-38-23)21(32)10-15(29)8-14-9-17(27)18(28)11-16(14)26;/h3-4,7,9,11,15,23,25H,2,5-6,8,10,12,29H2,1H3,(H,30,33);1H/t15-,23?,25?;/m1./s1