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

Systemtic Name: tert-butyl 2-[[2-[(4-hydroxyphenyl)sulfanylmethyl]-3-naphthalen-1-yl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-[(4-hydroxyphenyl)sulfanylmethyl]-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[[(4-hydroxyphenyl)thio]methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[(4-hydroxyphenyl)sulfanylmethyl]-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-[[(4-hydroxyphenyl)thio]methyl]-3-(1-naphthyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C30H37NO4S MolecularWeight: 507.68408

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)CSC3=CC=C(C=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C30H37NO4S/c1-5-6-14-27(29(34)35-30(2,3)4)31-28(33)23(20-36-25-17-15-24(32)16-18-25)19-22-12-9-11-21-10-7-8-13-26(21)22/h7-13,15-18,23,27,32H,5-6,14,19-20H2,1-4H3,(H,31,33)