2-[3-[2-(6-chloranyl-3-ethanoyl-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]propyl-propan-2-yl-amino]ethyl 2,2-dimethylpropanoate

Systemtic Name: 2-[3-[2-(6-chloranyl-3-ethanoyl-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]propyl-propan-2-yl-amino]ethyl 2,2-dimethylpropanoate Openeye Name: 2-[3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]propyl-isopropyl-amino]ethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 2-[3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxyphenoxy]propyl-propan-2-ylamino]ethyl ester IUPAC Name: 2-[3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxyphenoxy]propyl-propan-2-ylamino]ethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 2-[3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]propyl-isopropyl-amino]ethyl ester Formula: C29H39ClN2O5S MolecularWeight: 563.14836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCOC1=C(C=C(C=C1)OC)C2N(C3=C(S2)C=C(C=C3)Cl)C(=O)C)CCOC(=O)C(C)(C)C

Isomeric SMILES

CC(C)N(CCCOC1=C(C=C(C=C1)OC)C2N(C3=C(S2)C=C(C=C3)Cl)C(=O)C)CCOC(=O)C(C)(C)C

InChI

InChI=1S/C29H39ClN2O5S/c1-19(2)31(14-16-37-28(34)29(4,5)6)13-8-15-36-25-12-10-22(35-7)18-23(25)27-32(20(3)33)24-11-9-21(30)17-26(24)38-27/h9-12,17-19,27H,8,13-16H2,1-7H3