(phenylmethyl) 2-[2-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]ethoxy]-5-phenyl-pentanoate

Systemtic Name: (phenylmethyl) 2-[2-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]ethoxy]-5-phenyl-pentanoate Openeye Name: benzyl 2-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]-5-phenyl-pentanoate CAS Name: 2-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]-5-phenylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]-5-phenylpentanoate Traditional Name: 2-[2-(6-benzoyl-2-keto-1,3-benzothiazol-3-yl)ethoxy]-5-phenyl-valeric acid benzyl ester Formula: C34H31NO5S MolecularWeight: 565.67864

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H31NO5S/c36-32(27-16-8-3-9-17-27)28-19-20-29-31(23-28)41-34(38)35(29)21-22-39-30(18-10-15-25-11-4-1-5-12-25)33(37)40-24-26-13-6-2-7-14-26/h1-9,11-14,16-17,19-20,23,30H,10,15,18,21-22,24H2