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

Systemtic Name: tert-butyl 2-[[2-(ethylsulfanylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-(ethylsulfanylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-[(ethylthio)methyl]-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(ethylsulfanylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-[(ethylthio)methyl]-3-(1-naphthyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C26H37NO3S MolecularWeight: 443.64188

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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)CSCC

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO3S/c1-6-8-16-23(25(29)30-26(3,4)5)27-24(28)21(18-31-7-2)17-20-14-11-13-19-12-9-10-15-22(19)20/h9-15,21,23H,6-8,16-18H2,1-5H3,(H,27,28)