(phenylmethyl) 2-[[2-[(3-acetyloxy-2,2-diethoxy-propyl)sulfanylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoate

Systemtic Name: (phenylmethyl) 2-[[2-[(3-acetyloxy-2,2-diethoxy-propyl)sulfanylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoate Openeye Name: benzyl 2-[[2-[(3-acetoxy-2,2-diethoxy-propyl)sulfanylmethyl]-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[[(3-acetyloxy-2,2-diethoxypropyl)thio]methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[(3-acetyloxy-2,2-diethoxypropyl)sulfanylmethyl]-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-[[(3-acetoxy-2,2-diethoxy-propyl)thio]methyl]-3-(1-naphthyl)propanoyl]amino]hexanoic acid benzyl ester Formula: C36H47NO7S MolecularWeight: 637.82588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)CSCC(COC(=O)C)(OCC)OCC

Isomeric SMILES

CCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)CSCC(COC(=O)C)(OCC)OCC

InChI

InChI=1S/C36H47NO7S/c1-5-8-21-33(35(40)41-23-28-15-10-9-11-16-28)37-34(39)31(22-30-19-14-18-29-17-12-13-20-32(29)30)24-45-26-36(43-6-2,44-7-3)25-42-27(4)38/h9-20,31,33H,5-8,21-26H2,1-4H3,(H,37,39)