tert-butyl 2-[[2-(furan-2-ylmethylsulfanylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[2-(furan-2-ylmethylsulfanylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-(2-furylmethylsulfanylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[(2-furanylmethylthio)methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(furan-2-ylmethylsulfanylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-[(2-furfurylthio)methyl]-3-(1-naphthyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C29H37NO4S MolecularWeight: 495.67338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CSCC3=CC=CO3

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CSCC3=CC=CO3

InChI

InChI=1S/C29H37NO4S/c1-5-6-16-26(28(32)34-29(2,3)4)30-27(31)23(19-35-20-24-14-10-17-33-24)18-22-13-9-12-21-11-7-8-15-25(21)22/h7-15,17,23,26H,5-6,16,18-20H2,1-4H3,(H,30,31)