tert-butyl 2-[[2-[(4-acetyloxyphenyl)sulfanylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[2-[(4-acetyloxyphenyl)sulfanylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-[(4-acetoxyphenyl)sulfanylmethyl]-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[[(4-acetyloxyphenyl)thio]methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[(4-acetyloxyphenyl)sulfanylmethyl]-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-[[(4-acetoxyphenyl)thio]methyl]-3-(1-naphthyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C32H39NO5S MolecularWeight: 549.72076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CSC3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CSC3=CC=C(C=C3)OC(=O)C

InChI

InChI=1S/C32H39NO5S/c1-6-7-15-29(31(36)38-32(3,4)5)33-30(35)25(20-24-13-10-12-23-11-8-9-14-28(23)24)21-39-27-18-16-26(17-19-27)37-22(2)34/h8-14,16-19,25,29H,6-7,15,20-21H2,1-5H3,(H,33,35)