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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(C)(CC1=CC=CC2=CC=CC=C21)SC3=CC=C(C=C3)O

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(C)(CC1=CC=CC2=CC=CC=C21)SC3=CC=C(C=C3)O

InChI

InChI=1S/C30H37NO4S/c1-6-7-15-26(27(33)35-29(2,3)4)31-28(34)30(5,36-24-18-16-23(32)17-19-24)20-22-13-10-12-21-11-8-9-14-25(21)22/h8-14,16-19,26,32H,6-7,15,20H2,1-5H3,(H,31,34)