(phenylmethyl) 2-[2-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]ethoxy]-4-phenyl-butanoate

Systemtic Name: (phenylmethyl) 2-[2-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]ethoxy]-4-phenyl-butanoate Openeye Name: benzyl 2-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]-4-phenyl-butanoate CAS Name: 2-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]-4-phenylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]-4-phenylbutanoate Traditional Name: 2-[2-(6-benzoyl-2-keto-1,3-benzothiazol-3-yl)ethoxy]-4-phenyl-butyric acid benzyl ester Formula: C33H29NO5S MolecularWeight: 551.65206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)OCC2=CC=CC=C2)OCCN3C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)SC3=O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)OCC2=CC=CC=C2)OCCN3C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)SC3=O

InChI

InChI=1S/C33H29NO5S/c35-31(26-14-8-3-9-15-26)27-17-18-28-30(22-27)40-33(37)34(28)20-21-38-29(19-16-24-10-4-1-5-11-24)32(36)39-23-25-12-6-2-7-13-25/h1-15,17-18,22,29H,16,19-21,23H2